1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone

C9H14ClNO — CID 130670155

IUPAC1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCC2(CCC2)C1
InChIInChI=1S/C9H14ClNO/c10-6-8(12)11-5-4-9(7-11)2-1-3-9/h1-7H2
InChIKeyCOKWMMULVFQKMM-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.63
Rot. Bonds1

About 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone

1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone (PubChem CID 130670155) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
PubChem CID130670155
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCC2(CCC2)C1
InChIInChI=1S/C9H14ClNO/c10-6-8(12)11-5-4-9(7-11)2-1-3-9/h1-7H2
InChIKeyCOKWMMULVFQKMM-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
2-(2-chloroacetyl)-2-azaspiro[4.5]decane-8-carboxylic acid
CID 71649547
1-[8-(bromomethyl)-2-azaspiro[4.5]decan-2-yl]-2-chloroethanone
CID 71646498
3-(2-azaspiro[4.4]nonan-2-yl)-3-oxopropanenitrile
CID 130168272
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810
1-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]-2-chloroethanone
CID 97168789
1-(6-azaspiro[3.5]nonan-6-yl)-2-hydroxyethanone
CID 130643020
(5S,8S)-2-(2-chloroacetyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 97169116
tert-butyl 7-(2-chloroacetyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 172876279
3-(2-aminoethoxy)-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 112739108
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
2-chloro-1-[7-(4-propan-2-yloxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
CID 154881198

Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone?
The IUPAC name of 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone (CID 130670155) is 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone.
What is the SMILES notation for 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone?
The canonical SMILES for 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone is O=C(CCl)N1CCC2(CCC2)C1.
What is the InChIKey of 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone?
The InChIKey is COKWMMULVFQKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-6-8(12)11-5-4-9(7-11)2-1-3-9/h1-7H2.
What are the key properties of 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone?
1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone has a molecular weight of 187.67 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[3.4]octan-6-yl)-2-chloroethanone is sourced from PubChem (CID 130670155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).