N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H24N2O2 — CID 70713492

IUPACN-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC2=CCCCC2)CC1=O
InChIInChI=1S/C15H24N2O2/c1-11(2)17-10-13(8-14(17)18)15(19)16-9-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3,(H,16,19)
InChIKeyQBMGGEDWVIUFTO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 70713492) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID70713492
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)NCC2=CCCCC2)CC1=O
InChIInChI=1S/C15H24N2O2/c1-11(2)17-10-13(8-14(17)18)15(19)16-9-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3,(H,16,19)
InChIKeyQBMGGEDWVIUFTO-UHFFFAOYSA-N
XLogP1.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
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

(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 97124896
N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 70733611
1-butan-2-yl-N-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182086
N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
CID 100542242
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 43170550
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113182280
N-(cyclohexen-1-ylmethyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155501415
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
1-[2-(cyclohexen-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182315
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
1-[2-(cyclohexen-1-yl)ethyl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113182311

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 70713492) is N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)NCC2=CCCCC2)CC1=O.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QBMGGEDWVIUFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-10-13(8-14(17)18)15(19)16-9-12-6-4-3-5-7-12/h6,11,13H,3-5,7-10H2,1-2H3,(H,16,19).
What are the key properties of N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70713492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).