8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one

C16H18ClNO3 — CID 132649011

IUPAC8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccccc1Cl)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C16H18ClNO3/c17-13-5-2-1-4-12(13)10-15(20)18-8-7-16(14(19)11-18)6-3-9-21-16/h1-2,4-5H,3,6-11H2
InChIKeyDWTILHVZLZHKJS-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.23
Rot. Bonds2

About 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one

8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one (PubChem CID 132649011) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
PubChem CID132649011
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccccc1Cl)N1CCC2(CCCO2)C(=O)C1
InChIInChI=1S/C16H18ClNO3/c17-13-5-2-1-4-12(13)10-15(20)18-8-7-16(14(19)11-18)6-3-9-21-16/h1-2,4-5H,3,6-11H2
InChIKeyDWTILHVZLZHKJS-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-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 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
The IUPAC name of 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one (CID 132649011) is 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
The canonical SMILES for 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one is O=C(Cc1ccccc1Cl)N1CCC2(CCCO2)C(=O)C1.
What is the InChIKey of 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
The InChIKey is DWTILHVZLZHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c17-13-5-2-1-4-12(13)10-15(20)18-8-7-16(14(19)11-18)6-3-9-21-16/h1-2,4-5H,3,6-11H2.
What are the key properties of 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one?
8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one has a molecular weight of 307.78 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-chlorophenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 132649011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).