(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one

C11H19NO — CID 156552540

IUPAC(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one
SMILESCC[C@]1(N2CCC2)CCCCC1=O
InChIInChI=1S/C11H19NO/c1-2-11(12-8-5-9-12)7-4-3-6-10(11)13/h2-9H2,1H3/t11-/m0/s1
InChIKeyDMNMWUSTPNLHAP-NSHDSACASA-N
MW181.28 g/mol
LogP1.98
Rot. Bonds2

About (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one

(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one (PubChem CID 156552540) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one
PubChem CID156552540
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one
SMILESCC[C@]1(N2CCC2)CCCCC1=O
InChIInChI=1S/C11H19NO/c1-2-11(12-8-5-9-12)7-4-3-6-10(11)13/h2-9H2,1H3/t11-/m0/s1
InChIKeyDMNMWUSTPNLHAP-NSHDSACASA-N
XLogP1.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one?
The IUPAC name of (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one (CID 156552540) is (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one.
What is the SMILES notation for (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one?
The canonical SMILES for (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one is CC[C@]1(N2CCC2)CCCCC1=O.
What is the InChIKey of (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one?
The InChIKey is DMNMWUSTPNLHAP-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(12-8-5-9-12)7-4-3-6-10(11)13/h2-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one?
(2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azetidin-1-yl)-2-ethylcyclohexan-1-one is sourced from PubChem (CID 156552540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).