1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione

C19H21N3O2 — CID 77096966

IUPAC1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
SMILESCn1cccc1C(=O)C(=O)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C19H21N3O2/c1-21-10-4-7-16(21)17(23)18(24)22-11-8-19(9-12-22)13-20-15-6-3-2-5-14(15)19/h2-7,10,20H,8-9,11-13H2,1H3
InChIKeyHGVBNVGSNUMEFV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.19
Rot. Bonds2

About 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione

1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione (PubChem CID 77096966) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
PubChem CID77096966
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione
SMILESCn1cccc1C(=O)C(=O)N1CCC2(CC1)CNc1ccccc12
InChIInChI=1S/C19H21N3O2/c1-21-10-4-7-16(21)17(23)18(24)22-11-8-19(9-12-22)13-20-15-6-3-2-5-14(15)19/h2-7,10,20H,8-9,11-13H2,1H3
InChIKeyHGVBNVGSNUMEFV-UHFFFAOYSA-N
XLogP2.19
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 97399955
(2R)-2-hydroxy-4-methylsulfanyl-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylbutan-1-one
CID 99931971
1-(4-benzhydrylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 53031928
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
(2S)-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99982325
6-ethyl-5-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)-1H-pyridin-2-one
CID 162629513
N-cyclopropyl-3-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropanamide
CID 166283639
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone;dihydrochloride
CID 163334344
1-[(5R)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione
CID 97118865

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione (CID 77096966) is 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione is Cn1cccc1C(=O)C(=O)N1CCC2(CC1)CNc1ccccc12.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione?
The InChIKey is HGVBNVGSNUMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21-10-4-7-16(21)17(23)18(24)22-11-8-19(9-12-22)13-20-15-6-3-2-5-14(15)19/h2-7,10,20H,8-9,11-13H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione?
1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione has a molecular weight of 323.40 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethane-1,2-dione is sourced from PubChem (CID 77096966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).