N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide

C11H16N2O2 — CID 129370733

IUPACN-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
SMILESCN1C[C@H](NC(=O)C2CC=CC2)CC1=O
InChIInChI=1S/C11H16N2O2/c1-13-7-9(6-10(13)14)12-11(15)8-4-2-3-5-8/h2-3,8-9H,4-7H2,1H3,(H,12,15)/t9-/m1/s1
InChIKeyZOMZBYSHEABFLY-SECBINFHSA-N
MW208.26 g/mol
LogP0.30
Rot. Bonds2

About N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide

N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 129370733) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
PubChem CID129370733
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
SMILESCN1C[C@H](NC(=O)C2CC=CC2)CC1=O
InChIInChI=1S/C11H16N2O2/c1-13-7-9(6-10(13)14)12-11(15)8-4-2-3-5-8/h2-3,8-9H,4-7H2,1H3,(H,12,15)/t9-/m1/s1
InChIKeyZOMZBYSHEABFLY-SECBINFHSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758188
(2S,4S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 120627814
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
N-(1-methyl-5-oxopyrrolidin-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 110745995
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
(4R,8R)-8-(cyclobutylamino)-N-cyclopropyl-1-methyl-2-oxoazonane-4-carboxamide
CID 75411799
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119308806

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide (CID 129370733) is N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide is CN1C[C@H](NC(=O)C2CC=CC2)CC1=O.
What is the InChIKey of N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is ZOMZBYSHEABFLY-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-13-7-9(6-10(13)14)12-11(15)8-4-2-3-5-8/h2-3,8-9H,4-7H2,1H3,(H,12,15)/t9-/m1/s1.
What are the key properties of N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide?
N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 129370733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).