N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C12H18N2O2 — CID 103842213

IUPACN-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCCC2=CCCC2)CN1
InChIInChI=1S/C12H18N2O2/c15-11-7-10(8-14-11)12(16)13-6-5-9-3-1-2-4-9/h3,10H,1-2,4-8H2,(H,13,16)(H,14,15)
InChIKeyWCXWXGROJCLSKJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.74
Rot. Bonds4

About N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 103842213) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID103842213
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCCC2=CCCC2)CN1
InChIInChI=1S/C12H18N2O2/c15-11-7-10(8-14-11)12(16)13-6-5-9-3-1-2-4-9/h3,10H,1-2,4-8H2,(H,13,16)(H,14,15)
InChIKeyWCXWXGROJCLSKJ-UHFFFAOYSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469
(2R)-N-[2-(cyclopenten-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 106175364
N-[2-(4-aminophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 81478476
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 95131890
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-[2-(cyclohexen-1-yl)ethyl]-5-oxothiomorpholine-3-carboxamide
CID 110695427
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798010

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 103842213) is N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCCC2=CCCC2)CN1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WCXWXGROJCLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-7-10(8-14-11)12(16)13-6-5-9-3-1-2-4-9/h3,10H,1-2,4-8H2,(H,13,16)(H,14,15).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103842213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).