(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C15H22N2O2 — CID 97124896

IUPAC(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1=CCCCC1)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H22N2O2/c18-14-8-12(10-17(14)13-6-7-13)15(19)16-9-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H,16,19)/t12-/m0/s1
InChIKeyIQOCYDKACAPIBT-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.61
Rot. Bonds4

About (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 97124896) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID97124896
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCC1=CCCCC1)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C15H22N2O2/c18-14-8-12(10-17(14)13-6-7-13)15(19)16-9-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H,16,19)/t12-/m0/s1
InChIKeyIQOCYDKACAPIBT-LBPRGKRZSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.61
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

N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 70733611
N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70713492
N-(cyclohexen-1-ylmethyl)cyclopentanecarboxamide
CID 100542242
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
N-(cyclohexen-1-ylmethyl)-1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 155501415
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 97124896) is (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(NCC1=CCCCC1)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IQOCYDKACAPIBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-14-8-12(10-17(14)13-6-7-13)15(19)16-9-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclohexen-1-ylmethyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97124896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).