2-pentylcyclopent-3-en-1-one

C10H16O — CID 13168677

IUPAC2-pentylcyclopent-3-en-1-one
SMILESCCCCCC1C=CCC1=O
InChIInChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h5,7,9H,2-4,6,8H2,1H3
InChIKeyKXXUDJOYVBCZSA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds4

About 2-pentylcyclopent-3-en-1-one

2-pentylcyclopent-3-en-1-one (PubChem CID 13168677) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-pentylcyclopent-3-en-1-one.

Molecular Properties

Compound Name2-pentylcyclopent-3-en-1-one
PubChem CID13168677
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-pentylcyclopent-3-en-1-one
SMILESCCCCCC1C=CCC1=O
InChIInChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h5,7,9H,2-4,6,8H2,1H3
InChIKeyKXXUDJOYVBCZSA-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dotriacontyl-2,5-dihydropyran-6-one
CID 123999282
2-pentadecylcyclopropan-1-one
CID 70874004
3-tridecyl-3H-furan-2-one
CID 19433188
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
2-decylcyclopentan-1-one
CID 12823821
3-decylcyclobutene
CID 174421846
2-octylcyclohexane-1,3-dione
CID 102322610
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
2-decyl-3,6-dihydro-2H-oxepin-7-one
CID 91350217
4-decyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 141093247
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
2-hexyloxetan-3-one
CID 174264263

Frequently Asked Questions

What is the IUPAC name of 2-pentylcyclopent-3-en-1-one?
The IUPAC name of 2-pentylcyclopent-3-en-1-one (CID 13168677) is 2-pentylcyclopent-3-en-1-one.
What is the SMILES notation for 2-pentylcyclopent-3-en-1-one?
The canonical SMILES for 2-pentylcyclopent-3-en-1-one is CCCCCC1C=CCC1=O.
What is the InChIKey of 2-pentylcyclopent-3-en-1-one?
The InChIKey is KXXUDJOYVBCZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-4-6-9-7-5-8-10(9)11/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 2-pentylcyclopent-3-en-1-one?
2-pentylcyclopent-3-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylcyclopent-3-en-1-one is sourced from PubChem (CID 13168677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).