(4S)-4-prop-2-enylcyclohex-2-en-1-one

C9H12O — CID 93148193

IUPAC(4S)-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@H]1C=CC(=O)CC1
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h2,4,6,8H,1,3,5,7H2/t8-/m0/s1
InChIKeyNXCVYYZJFBZNPQ-QMMMGPOBSA-N
MW136.19 g/mol
LogP2.10
Rot. Bonds2

About (4S)-4-prop-2-enylcyclohex-2-en-1-one

(4S)-4-prop-2-enylcyclohex-2-en-1-one (PubChem CID 93148193) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (4S)-4-prop-2-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-prop-2-enylcyclohex-2-en-1-one
PubChem CID93148193
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(4S)-4-prop-2-enylcyclohex-2-en-1-one
SMILESC=CC[C@H]1C=CC(=O)CC1
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h2,4,6,8H,1,3,5,7H2/t8-/m0/s1
InChIKeyNXCVYYZJFBZNPQ-QMMMGPOBSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.10
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

4-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 13213616
4-(hydroxymethyl)cyclohex-2-en-1-one
CID 24973928
N-[3-(4-oxocyclohex-2-en-1-yl)propyl]prop-2-enamide
CID 121009861
4-[(Z)-5-chloro-3-trimethylstannylpent-2-enyl]cyclohex-2-en-1-one
CID 177438717
2-hydroxy-4-prop-2-enylcyclohex-2-en-1-one
CID 45082974
2-oxo-3-(4-oxocyclohex-2-en-1-yl)propanoic acid
CID 123591457
2-prop-2-enylcyclopent-4-ene-1,3-dione
CID 12877518
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 11402212
(4Z)-3-prop-2-enylcyclonon-4-en-1-one
CID 12742774
3-prop-2-enylcyclododecene
CID 173111720
(1E)-3-prop-2-enylcyclododecene
CID 173111718
1-methyl-4-prop-2-enyl-3,4-dihydropyridin-2-one
CID 102398243

Frequently Asked Questions

What is the IUPAC name of (4S)-4-prop-2-enylcyclohex-2-en-1-one?
The IUPAC name of (4S)-4-prop-2-enylcyclohex-2-en-1-one (CID 93148193) is (4S)-4-prop-2-enylcyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-prop-2-enylcyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-prop-2-enylcyclohex-2-en-1-one is C=CC[C@H]1C=CC(=O)CC1.
What is the InChIKey of (4S)-4-prop-2-enylcyclohex-2-en-1-one?
The InChIKey is NXCVYYZJFBZNPQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h2,4,6,8H,1,3,5,7H2/t8-/m0/s1.
What are the key properties of (4S)-4-prop-2-enylcyclohex-2-en-1-one?
(4S)-4-prop-2-enylcyclohex-2-en-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-prop-2-enylcyclohex-2-en-1-one is sourced from PubChem (CID 93148193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).