8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one

C14H15ClO — CID 115010898

IUPAC8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
SMILESO=C1CCc2cccc(Cl)c2C12CCCC2
InChIInChI=1S/C14H15ClO/c15-11-5-3-4-10-6-7-12(16)14(13(10)11)8-1-2-9-14/h3-5H,1-2,6-9H2
InChIKeyIKWOTBKUDPYJDJ-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.67
Rot. Bonds

About 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one

8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one (PubChem CID 115010898) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
PubChem CID115010898
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
SMILESO=C1CCc2cccc(Cl)c2C12CCCC2
InChIInChI=1S/C14H15ClO/c15-11-5-3-4-10-6-7-12(16)14(13(10)11)8-1-2-9-14/h3-5H,1-2,6-9H2
InChIKeyIKWOTBKUDPYJDJ-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one 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

8-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
CID 115010885
8-methoxyspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010910
5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
CID 84721040
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
2-amino-2-(2-chlorophenyl)cyclohexan-1-one;hydrochloride
CID 25195026
9-chloro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 53359998
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
spiro[5.6]dodecane-5,12-dione
CID 534624
8-hydroxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010908
8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 135280999
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
CID 115010954

Frequently Asked Questions

What is the IUPAC name of 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one?
The IUPAC name of 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one (CID 115010898) is 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one.
What is the SMILES notation for 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one?
The canonical SMILES for 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one is O=C1CCc2cccc(Cl)c2C12CCCC2.
What is the InChIKey of 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one?
The InChIKey is IKWOTBKUDPYJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO/c15-11-5-3-4-10-6-7-12(16)14(13(10)11)8-1-2-9-14/h3-5H,1-2,6-9H2.
What are the key properties of 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one?
8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one has a molecular weight of 234.73 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chlorospiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one is sourced from PubChem (CID 115010898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).