1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone

C12H18ClNO2 — CID 15164457

IUPAC1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(N2CCOCC2)C(Cl)CCC1
InChIInChI=1S/C12H18ClNO2/c1-9(15)10-3-2-4-11(13)12(10)14-5-7-16-8-6-14/h11H,2-8H2,1H3
InChIKeyYBFYAECODUJGMB-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.95
Rot. Bonds2

About 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone

1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone (PubChem CID 15164457) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone
PubChem CID15164457
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(N2CCOCC2)C(Cl)CCC1
InChIInChI=1S/C12H18ClNO2/c1-9(15)10-3-2-4-11(13)12(10)14-5-7-16-8-6-14/h11H,2-8H2,1H3
InChIKeyYBFYAECODUJGMB-UHFFFAOYSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone 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 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone?
The IUPAC name of 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone (CID 15164457) is 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone is CC(=O)C1=C(N2CCOCC2)C(Cl)CCC1.
What is the InChIKey of 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone?
The InChIKey is YBFYAECODUJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(15)10-3-2-4-11(13)12(10)14-5-7-16-8-6-14/h11H,2-8H2,1H3.
What are the key properties of 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone?
1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone has a molecular weight of 243.73 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 15164457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).