1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone

C9H10O — CID 91334375

IUPAC1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone
SMILESC=C1C=C(C(C)=O)C=CC1
InChIInChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3,5-6H,1,4H2,2H3
InChIKeyCQQQGXJVNWBVBI-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.02
Rot. Bonds1

About 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone

1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone (PubChem CID 91334375) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone
PubChem CID91334375
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone
SMILESC=C1C=C(C(C)=O)C=CC1
InChIInChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3,5-6H,1,4H2,2H3
InChIKeyCQQQGXJVNWBVBI-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 142851451
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253
6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 136734752
1-(3-methylphosphanylidenecyclohexa-1,4-dien-1-yl)ethanone
CID 142835572
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
2-methylidenecyclopent-3-en-1-one
CID 15805386
5-methylidene-2-(3-methylidenecyclohexa-1,5-dien-1-yl)cyclohexa-1,3-diene
CID 173128708
(3-acetylcyclohexa-2,4-dien-1-ylidene)azanide
CID 101133413
6-methylidene-2-[(E)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
CID 136880430
di(cyclohexa-1,5-dien-1-yl)methanone;ethane
CID 144664025
6-methylidene-2-phenylcyclohexa-1,3-diene;sulfane
CID 145149614
1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone
CID 14140227

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone?
The IUPAC name of 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone (CID 91334375) is 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone?
The canonical SMILES for 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone is C=C1C=C(C(C)=O)C=CC1.
What is the InChIKey of 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone?
The InChIKey is CQQQGXJVNWBVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone?
1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone has a molecular weight of 134.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenecyclohexa-1,5-dien-1-yl)ethanone is sourced from PubChem (CID 91334375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).