(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one

C12H14O — CID 131236041

IUPAC(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
SMILESCC1=CC/C(=C2\CCC=C2C)C1=O
InChIInChI=1S/C12H14O/c1-8-4-3-5-10(8)11-7-6-9(2)12(11)13/h4,6H,3,5,7H2,1-2H3/b11-10-
InChIKeyBFHSHMGVJJEHDY-KHPPLWFESA-N
MW174.24 g/mol
LogP2.94
Rot. Bonds

About (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one

(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one (PubChem CID 131236041) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
PubChem CID131236041
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one
SMILESCC1=CC/C(=C2\CCC=C2C)C1=O
InChIInChI=1S/C12H14O/c1-8-4-3-5-10(8)11-7-6-9(2)12(11)13/h4,6H,3,5,7H2,1-2H3/b11-10-
InChIKeyBFHSHMGVJJEHDY-KHPPLWFESA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one with MolForge

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Related Compounds

2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
6-methyl-1,3,4,8-tetrahydroquinoline-2,5-dione
CID 58784968
(5Z,9Z)-3,6,10-trimethyl-7,8-dihydro-4H-cyclodeca[b]furan-11-one
CID 90473733
1,8-dimethyl-4,5,6,9-tetrahydro-3H-cyclopenta[f]azulene
CID 173271280
6-methyl-1,2,3,5-tetrahydro-as-indacene
CID 141475755
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 142044962
4,4,6-trimethyl-3,8-dihydro-1H-quinoline-2,5-dione
CID 22944527
1-methylcyclobutene;sulfane
CID 90109296
ethane;1-methylcyclobutene
CID 91484029
5-ethylidene-1-methylcyclopentene
CID 123192916
2-methyl-4,5,6,7-tetrahydroinden-1-one
CID 142636804

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one?
The IUPAC name of (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one (CID 131236041) is (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one?
The canonical SMILES for (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one is CC1=CC/C(=C2\CCC=C2C)C1=O.
What is the InChIKey of (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one?
The InChIKey is BFHSHMGVJJEHDY-KHPPLWFESA-N. The full InChI is InChI=1S/C12H14O/c1-8-4-3-5-10(8)11-7-6-9(2)12(11)13/h4,6H,3,5,7H2,1-2H3/b11-10-.
What are the key properties of (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one?
(5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-5-(2-methylcyclopent-2-en-1-ylidene)cyclopent-2-en-1-one is sourced from PubChem (CID 131236041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).