1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide

C14H22N2O2 — CID 71785189

IUPAC1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C14H22N2O2/c1-11(17)16-9-13(10-16)14(18)15-8-7-12-5-3-2-4-6-12/h5,13H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyAJMPLAOAWLNAHB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds4

About 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide

1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide (PubChem CID 71785189) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide
PubChem CID71785189
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C14H22N2O2/c1-11(17)16-9-13(10-16)14(18)15-8-7-12-5-3-2-4-6-12/h5,13H,2-4,6-10H2,1H3,(H,15,18)
InChIKeyAJMPLAOAWLNAHB-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide (CID 71785189) is 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide?
The InChIKey is AJMPLAOAWLNAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)16-9-13(10-16)14(18)15-8-7-12-5-3-2-4-6-12/h5,13H,2-4,6-10H2,1H3,(H,15,18).
What are the key properties of 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide?
1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(cyclohexen-1-yl)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 71785189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).