5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one

C11H16O2 — CID 162292656

IUPAC5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one
SMILESCCC=CC(O)C1CC(C)=CC1=O
InChIInChI=1S/C11H16O2/c1-3-4-5-10(12)9-6-8(2)7-11(9)13/h4-5,7,9-10,12H,3,6H2,1-2H3
InChIKeyUNZWRKNUEIQTDC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds3

About 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one

5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one (PubChem CID 162292656) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one
PubChem CID162292656
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one
SMILESCCC=CC(O)C1CC(C)=CC1=O
InChIInChI=1S/C11H16O2/c1-3-4-5-10(12)9-6-8(2)7-11(9)13/h4-5,7,9-10,12H,3,6H2,1-2H3
InChIKeyUNZWRKNUEIQTDC-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-
CID 11083
Cinerolon
CID 5374041
(Z,S)-jasmololone
CID 12304693
Jasmolone
CID 5374699
Litseaverticillol A
CID 6473812
Litseaverticillol B
CID 6478025
Litseaverticillol C
CID 6478026
Litseaverticillol D
CID 6478027
Litseaverticillol E
CID 6478028
Litseaverticillol H
CID 6478030
Sipharienolone
CID 5473196
Ampelomin A
CID 25243398

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one?
The IUPAC name of 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one (CID 162292656) is 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one is CCC=CC(O)C1CC(C)=CC1=O.
What is the InChIKey of 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one?
The InChIKey is UNZWRKNUEIQTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-5-10(12)9-6-8(2)7-11(9)13/h4-5,7,9-10,12H,3,6H2,1-2H3.
What are the key properties of 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one?
5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 162292656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).