2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide

C17H20N2O2 — CID 164641385

IUPAC2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide
SMILESCC1=C(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCC1
InChIInChI=1S/C17H20N2O2/c1-11-4-2-7-15(11)17(21)19-14-6-3-5-12(8-14)13-9-16(20)18-10-13/h3,5-6,8,13H,2,4,7,9-10H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyQZXXRGMPEYRIFK-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.73
Rot. Bonds3

About 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide

2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide (PubChem CID 164641385) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide
PubChem CID164641385
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide
SMILESCC1=C(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCC1
InChIInChI=1S/C17H20N2O2/c1-11-4-2-7-15(11)17(21)19-14-6-3-5-12(8-14)13-9-16(20)18-10-13/h3,5-6,8,13H,2,4,7,9-10H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1
InChIKeyQZXXRGMPEYRIFK-ZDUSSCGKSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-5-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]pyrazole-3-carboxamide
CID 124861225
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
4-(4-fluorophenyl)-5-methyl-N-[3-(5-oxopyrrolidin-3-yl)phenyl]thiophene-2-carboxamide
CID 119042722
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[3-(5-oxopyrrolidin-3-yl)phenyl]benzamide
CID 146129139
2-methyl-1-oxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 167887496
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66106950
(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
3-N-butyl-2-(cyclopropanecarbonylamino)-5-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3,5-dicarboxamide
CID 146284145
4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide (CID 164641385) is 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide is CC1=C(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CCC1.
What is the InChIKey of 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide?
The InChIKey is QZXXRGMPEYRIFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-4-2-7-15(11)17(21)19-14-6-3-5-12(8-14)13-9-16(20)18-10-13/h3,5-6,8,13H,2,4,7,9-10H2,1H3,(H,18,20)(H,19,21)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide?
2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(3R)-5-oxopyrrolidin-3-yl]phenyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 164641385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).