methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate

C14H15NO3 — CID 138742539

IUPACmethyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)C2
InChIInChI=1S/C14H15NO3/c1-18-12(16)9-2-3-10-7-14(8-11(10)6-9)4-5-15-13(14)17/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)/t14-/m0/s1
InChIKeyDQDUSCFZFATBFJ-AWEZNQCLSA-N
MW245.28 g/mol
LogP1.08
Rot. Bonds1

About methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate

methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate (PubChem CID 138742539) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
PubChem CID138742539
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)C2
InChIInChI=1S/C14H15NO3/c1-18-12(16)9-2-3-10-7-14(8-11(10)6-9)4-5-15-13(14)17/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)/t14-/m0/s1
InChIKeyDQDUSCFZFATBFJ-AWEZNQCLSA-N
XLogP1.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
ethane;methyl 2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 145171320
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
methyl 1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
CID 122616255
methyl (6R)-1'-cyclobutyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
CID 140747828
dimethyl 2,2'-dioxo-3,3'-spirobi[1,4-dihydroquinoline]-6',7-dicarboxylate
CID 122207365
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
(6R)-N-hydroxy-N-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624547
(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624614
(7S)-N-hydroxy-2'-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623057

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate?
The IUPAC name of methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate (CID 138742539) is methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate.
What is the SMILES notation for methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate?
The canonical SMILES for methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate is COC(=O)c1ccc2c(c1)C[C@]1(CCNC1=O)C2.
What is the InChIKey of methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate?
The InChIKey is DQDUSCFZFATBFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-12(16)9-2-3-10-7-14(8-11(10)6-9)4-5-15-13(14)17/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)/t14-/m0/s1.
What are the key properties of methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate?
methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxylate is sourced from PubChem (CID 138742539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).