3-ethenyl-2-pentylcyclopent-2-en-1-one

C12H18O — CID 14411905

IUPAC3-ethenyl-2-pentylcyclopent-2-en-1-one
SMILESC=CC1=C(CCCCC)C(=O)CC1
InChIInChI=1S/C12H18O/c1-3-5-6-7-11-10(4-2)8-9-12(11)13/h4H,2-3,5-9H2,1H3
InChIKeyOOFOPDQTQADUPN-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.41
Rot. Bonds5

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

3-ethenyl-2-pentylcyclopent-2-en-1-one (PubChem CID 14411905) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-ethenyl-2-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethenyl-2-pentylcyclopent-2-en-1-one
PubChem CID14411905
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name3-ethenyl-2-pentylcyclopent-2-en-1-one
SMILESC=CC1=C(CCCCC)C(=O)CC1
InChIInChI=1S/C12H18O/c1-3-5-6-7-11-10(4-2)8-9-12(11)13/h4H,2-3,5-9H2,1H3
InChIKeyOOFOPDQTQADUPN-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dipentylcyclopent-2-en-1-one
CID 70016136
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
3-hydroxy-2-pentylcyclohex-2-en-1-one
CID 70170609
3-octyl-4-prop-2-enylfuran-2,5-dione
CID 71418723
3-decyl-2-hydroxycyclopent-2-en-1-one
CID 11644377
2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
CID 13027966
2-(3-bromopropyl)-3-methylcyclopent-2-en-1-one
CID 121286799
2-(4-chlorobutyl)-3-methylcyclopent-2-en-1-one
CID 102244365
2,3-didecylcyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 175360456
2,3-dibutyl-4,5-dipropylcyclopenta-2,4-dien-1-one
CID 86058900
1-dodecyl-4-ethenyl-2,5-diethylbenzene
CID 142098538
4-pentylcyclohex-3-en-1-one
CID 15219552

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-pentylcyclopent-2-en-1-one?
The IUPAC name of 3-ethenyl-2-pentylcyclopent-2-en-1-one (CID 14411905) is 3-ethenyl-2-pentylcyclopent-2-en-1-one.
What is the SMILES notation for 3-ethenyl-2-pentylcyclopent-2-en-1-one?
The canonical SMILES for 3-ethenyl-2-pentylcyclopent-2-en-1-one is C=CC1=C(CCCCC)C(=O)CC1.
What is the InChIKey of 3-ethenyl-2-pentylcyclopent-2-en-1-one?
The InChIKey is OOFOPDQTQADUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-3-5-6-7-11-10(4-2)8-9-12(11)13/h4H,2-3,5-9H2,1H3.
What are the key properties of 3-ethenyl-2-pentylcyclopent-2-en-1-one?
3-ethenyl-2-pentylcyclopent-2-en-1-one has a molecular weight of 178.27 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 14411905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).