1-(cyclopenten-1-yl)-4-hydroxypentan-1-one

C10H16O2 — CID 134922436

IUPAC1-(cyclopenten-1-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)C1=CCCC1
InChIInChI=1S/C10H16O2/c1-8(11)6-7-10(12)9-4-2-3-5-9/h4,8,11H,2-3,5-7H2,1H3
InChIKeyMXUXJCNUFCNRIN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds4

About 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one

1-(cyclopenten-1-yl)-4-hydroxypentan-1-one (PubChem CID 134922436) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-4-hydroxypentan-1-one
PubChem CID134922436
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(cyclopenten-1-yl)-4-hydroxypentan-1-one
SMILESCC(O)CCC(=O)C1=CCCC1
InChIInChI=1S/C10H16O2/c1-8(11)6-7-10(12)9-4-2-3-5-9/h4,8,11H,2-3,5-7H2,1H3
InChIKeyMXUXJCNUFCNRIN-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one?
The IUPAC name of 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one (CID 134922436) is 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one.
What is the SMILES notation for 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one?
The canonical SMILES for 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one is CC(O)CCC(=O)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one?
The InChIKey is MXUXJCNUFCNRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)6-7-10(12)9-4-2-3-5-9/h4,8,11H,2-3,5-7H2,1H3.
What are the key properties of 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one?
1-(cyclopenten-1-yl)-4-hydroxypentan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-4-hydroxypentan-1-one is sourced from PubChem (CID 134922436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).