6-chloro-3-cyclopentylpyran-2-one

C10H11ClO2 — CID 10488207

IUPAC6-chloro-3-cyclopentylpyran-2-one
SMILESO=c1oc(Cl)ccc1C1CCCC1
InChIInChI=1S/C10H11ClO2/c11-9-6-5-8(10(12)13-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyDBYJWOQNYZUQTM-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.95
Rot. Bonds1

About 6-chloro-3-cyclopentylpyran-2-one

6-chloro-3-cyclopentylpyran-2-one (PubChem CID 10488207) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is 6-chloro-3-cyclopentylpyran-2-one.

Molecular Properties

Compound Name6-chloro-3-cyclopentylpyran-2-one
PubChem CID10488207
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name6-chloro-3-cyclopentylpyran-2-one
SMILESO=c1oc(Cl)ccc1C1CCCC1
InChIInChI=1S/C10H11ClO2/c11-9-6-5-8(10(12)13-9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyDBYJWOQNYZUQTM-UHFFFAOYSA-N
XLogP2.95
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-cyclopentylpyran-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclopentylpyran-2-one?
The IUPAC name of 6-chloro-3-cyclopentylpyran-2-one (CID 10488207) is 6-chloro-3-cyclopentylpyran-2-one.
What is the SMILES notation for 6-chloro-3-cyclopentylpyran-2-one?
The canonical SMILES for 6-chloro-3-cyclopentylpyran-2-one is O=c1oc(Cl)ccc1C1CCCC1.
What is the InChIKey of 6-chloro-3-cyclopentylpyran-2-one?
The InChIKey is DBYJWOQNYZUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2/c11-9-6-5-8(10(12)13-9)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 6-chloro-3-cyclopentylpyran-2-one?
6-chloro-3-cyclopentylpyran-2-one has a molecular weight of 198.65 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclopentylpyran-2-one is sourced from PubChem (CID 10488207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).