(4Z)-3-prop-2-enylcyclonon-4-en-1-one

C12H18O — CID 12742774

IUPAC(4Z)-3-prop-2-enylcyclonon-4-en-1-one
SMILESC=CCC1/C=C\CCCCC(=O)C1
InChIInChI=1S/C12H18O/c1-2-7-11-8-5-3-4-6-9-12(13)10-11/h2,5,8,11H,1,3-4,6-7,9-10H2/b8-5-
InChIKeyJHUBOPZMICTBDQ-YVMONPNESA-N
MW178.28 g/mol
LogP3.27
Rot. Bonds2

About (4Z)-3-prop-2-enylcyclonon-4-en-1-one

(4Z)-3-prop-2-enylcyclonon-4-en-1-one (PubChem CID 12742774) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (4Z)-3-prop-2-enylcyclonon-4-en-1-one.

Molecular Properties

Compound Name(4Z)-3-prop-2-enylcyclonon-4-en-1-one
PubChem CID12742774
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(4Z)-3-prop-2-enylcyclonon-4-en-1-one
SMILESC=CCC1/C=C\CCCCC(=O)C1
InChIInChI=1S/C12H18O/c1-2-7-11-8-5-3-4-6-9-12(13)10-11/h2,5,8,11H,1,3-4,6-7,9-10H2/b8-5-
InChIKeyJHUBOPZMICTBDQ-YVMONPNESA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enylcyclododecene
CID 173111720
(1E)-3-prop-2-enylcyclododecene
CID 173111718
3-prop-2-enylcycloheptan-1-one
CID 11378603
(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione
CID 69342863
(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583
cyclohexanone;cyclohexene
CID 67659841
(10Z)-cycloicos-10-en-1-one
CID 11254844
1-methyl-4-prop-2-enyl-3,4-dihydropyridin-2-one
CID 102398243
(4S)-4-prop-2-enylcyclohex-2-en-1-one
CID 93148193
(5E)-cycloheptadec-5-en-1-one
CID 13199934
3-ethylcyclopentadec-5-en-1-one
CID 172791519
3-prop-2-enoxycyclohexan-1-one
CID 10487074

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-prop-2-enylcyclonon-4-en-1-one?
The IUPAC name of (4Z)-3-prop-2-enylcyclonon-4-en-1-one (CID 12742774) is (4Z)-3-prop-2-enylcyclonon-4-en-1-one.
What is the SMILES notation for (4Z)-3-prop-2-enylcyclonon-4-en-1-one?
The canonical SMILES for (4Z)-3-prop-2-enylcyclonon-4-en-1-one is C=CCC1/C=C\CCCCC(=O)C1.
What is the InChIKey of (4Z)-3-prop-2-enylcyclonon-4-en-1-one?
The InChIKey is JHUBOPZMICTBDQ-YVMONPNESA-N. The full InChI is InChI=1S/C12H18O/c1-2-7-11-8-5-3-4-6-9-12(13)10-11/h2,5,8,11H,1,3-4,6-7,9-10H2/b8-5-.
What are the key properties of (4Z)-3-prop-2-enylcyclonon-4-en-1-one?
(4Z)-3-prop-2-enylcyclonon-4-en-1-one has a molecular weight of 178.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-prop-2-enylcyclonon-4-en-1-one is sourced from PubChem (CID 12742774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).