(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one

C9H12O — CID 131345602

IUPAC(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one
SMILESC/C=C1/CCC(=O)C=C1C
InChIInChI=1S/C9H12O/c1-3-8-4-5-9(10)6-7(8)2/h3,6H,4-5H2,1-2H3/b8-3-
InChIKeyOBPZFNDSBNCQOO-BAQGIRSFSA-N
MW136.19 g/mol
LogP2.24
Rot. Bonds

About (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one

(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one (PubChem CID 131345602) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one
PubChem CID131345602
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one
SMILESC/C=C1/CCC(=O)C=C1C
InChIInChI=1S/C9H12O/c1-3-8-4-5-9(10)6-7(8)2/h3,6H,4-5H2,1-2H3/b8-3-
InChIKeyOBPZFNDSBNCQOO-BAQGIRSFSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethylidene-1-methylcyclopentene
CID 123192916
3-methylcyclopent-2-en-1-one
CID 162114643
4-ethylidene-2,3-dihydronaphthalen-1-one
CID 123395937
ethane;(2E)-2-ethylidene-5-methylcyclohept-4-en-1-one
CID 145328904
ethane;3-methylcyclopent-2-en-1-one;propane-2,2-diol
CID 155705455
(6Z)-6-ethylidene-3,4-dimethylcyclohexa-1,3-dien-1-ol
CID 147503380
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
3-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]cyclopent-2-en-1-one
CID 137444693
hexane-2,5-dione;3-methylcyclopent-2-en-1-one
CID 158719806
3-ethylideneazetidin-2-one
CID 71337258
(4Z)-4-[(Z)-but-2-enylidene]-3,5,5-trimethylcyclohex-2-en-1-one
CID 6437349
1,2-di(ethylidene)cyclopropane
CID 123857340

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one?
The IUPAC name of (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one (CID 131345602) is (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one.
What is the SMILES notation for (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one?
The canonical SMILES for (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one is C/C=C1/CCC(=O)C=C1C.
What is the InChIKey of (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one?
The InChIKey is OBPZFNDSBNCQOO-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H12O/c1-3-8-4-5-9(10)6-7(8)2/h3,6H,4-5H2,1-2H3/b8-3-.
What are the key properties of (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one?
(4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-3-methylcyclohex-2-en-1-one is sourced from PubChem (CID 131345602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).