1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

C45H54N4O8 — CID 160648556

IUPAC1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
SMILESCC(=O)N1CCC2(Cc3cccc(C(=O)NO)c3C2)C1.COC(=O)c1cccc2c1CC1(CCN(C(C)=O)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2
InChIInChI=1S/C16H19NO3.C15H18N2O3.C14H17NO2/c1-11(18)17-7-6-16(10-17)8-12-4-3-5-13(14(12)9-16)15(19)20-2;1-10(18)17-6-5-15(9-17)7-11-3-2-4-12(13(11)8-15)14(19)16-20;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h3-5H,6-10H2,1-2H3;2-4,20H,5-9H2,1H3,(H,16,19);2-4,15H,5-9H2,1H3
InChIKeyRKCNVKRYGHWFET-UHFFFAOYSA-N
MW778.95 g/mol
LogP4.50
Rot. Bonds3

About 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 160648556) has the molecular formula C45H54N4O8 and a molecular weight of 778.95 g/mol. Its IUPAC name is 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

Compound Name1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
PubChem CID160648556
Molecular FormulaC45H54N4O8
Molecular Weight778.95 g/mol
Exact Mass778.39
IUPAC Name1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
SMILESCC(=O)N1CCC2(Cc3cccc(C(=O)NO)c3C2)C1.COC(=O)c1cccc2c1CC1(CCN(C(C)=O)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2
InChIInChI=1S/C16H19NO3.C15H18N2O3.C14H17NO2/c1-11(18)17-7-6-16(10-17)8-12-4-3-5-13(14(12)9-16)15(19)20-2;1-10(18)17-6-5-15(9-17)7-11-3-2-4-12(13(11)8-15)14(19)16-20;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h3-5H,6-10H2,1-2H3;2-4,20H,5-9H2,1H3,(H,16,19);2-4,15H,5-9H2,1H3
InChIKeyRKCNVKRYGHWFET-UHFFFAOYSA-N
XLogP4.50
TPSA154.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.95
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2'-oxo-1'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxo-1'-[3-(trifluoromethyl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 159351946
N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
CID 167593186
N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 167629186
1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 167709765
Methyl 4-[2-[2-[[2-[2-[[2-(3-tricyclo[3.3.1.03,7]nonanyl)acetyl]amino]acetyl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]phenyl]ethyl]benzoate
CID 130269763
3-[(3R)-6-(hydroxycarbamoyl)-2'-oxospiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-1'-yl]propyl (7R)-2'-oxo-1'-[3-[(7R)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carbonyl]oxypropyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 145171342
N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
CID 157103608
1'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-cyclopropylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 157443308
(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
CID 157454692
(2S)-N-hydroxy-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide;methyl (2S)-2'-oxo-1'-phenylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;methyl (2R)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate;sulfane
CID 157454693
N-hydroxy-1'-(4-methylbenzoyl)spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;1'-(4-methylbenzoyl)spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid;methyl 1'-(4-methylbenzoyl)spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 157529517
(6S)-N-hydroxy-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl (6S)-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl (6S)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;sulfane
CID 157960686

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The IUPAC name of 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 160648556) is 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.
What is the SMILES notation for 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The canonical SMILES for 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is CC(=O)N1CCC2(Cc3cccc(C(=O)NO)c3C2)C1.COC(=O)c1cccc2c1CC1(CCN(C(C)=O)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.
What is the InChIKey of 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
The InChIKey is RKCNVKRYGHWFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.C15H18N2O3.C14H17NO2/c1-11(18)17-7-6-16(10-17)8-12-4-3-5-13(14(12)9-16)15(19)20-2;1-10(18)17-6-5-15(9-17)7-11-3-2-4-12(13(11)8-15)14(19)16-20;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h3-5H,6-10H2,1-2H3;2-4,20H,5-9H2,1H3,(H,16,19);2-4,15H,5-9H2,1H3.
What are the key properties of 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?
1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 778.95 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-N-hydroxyspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-acetylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 160648556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).