1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone

C9H10O — CID 130027554

IUPAC1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
SMILESC=C1C=CC=CC1C(C)=O
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,9H,1H2,2H3
InChIKeyABSMTGOLLHRAON-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.87
Rot. Bonds1

About 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone

1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 130027554) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
PubChem CID130027554
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
SMILESC=C1C=CC=CC1C(C)=O
InChIInChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,9H,1H2,2H3
InChIKeyABSMTGOLLHRAON-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxyimino-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 174863640
1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
CID 13152392
(6-methylidenecyclohexa-2,4-dien-1-yl)phosphonic acid
CID 69017474
bis(1-cyclopenta-2,4-dien-1-ylethanone);iron
CID 176507815
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
1-cyclopenta-2,4-dien-1-yl-2-methylprop-2-en-1-one
CID 87460656
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
6-sulfonylcyclohexa-2,4-diene-1-carboxylic acid
CID 87282734
6-sulfinylcyclohexa-2,4-diene-1-carboxylic acid
CID 88639766
6-[2-(dimethylamino)acetyl]cyclohexa-2,4-dien-1-one
CID 140991636
1-[(1S,6R)-9-bicyclo[4.2.1]nona-2,4,7-trienyl]ethanone
CID 15577447
6-(2,2-diethoxyacetyl)cyclohexa-2,4-dien-1-one
CID 141088837

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone (CID 130027554) is 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone is C=C1C=CC=CC1C(C)=O.
What is the InChIKey of 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is ABSMTGOLLHRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,9H,1H2,2H3.
What are the key properties of 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone?
1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 134.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 130027554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).