1-(1-methyl-3-methylidenecyclobutyl)ethanone

C8H12O — CID 20614511

IUPAC1-(1-methyl-3-methylidenecyclobutyl)ethanone
SMILESC=C1CC(C)(C(C)=O)C1
InChIInChI=1S/C8H12O/c1-6-4-8(3,5-6)7(2)9/h1,4-5H2,2-3H3
InChIKeyNDHXNKCUIQPKSJ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds1

About 1-(1-methyl-3-methylidenecyclobutyl)ethanone

1-(1-methyl-3-methylidenecyclobutyl)ethanone (PubChem CID 20614511) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(1-methyl-3-methylidenecyclobutyl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-3-methylidenecyclobutyl)ethanone
PubChem CID20614511
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(1-methyl-3-methylidenecyclobutyl)ethanone
SMILESC=C1CC(C)(C(C)=O)C1
InChIInChI=1S/C8H12O/c1-6-4-8(3,5-6)7(2)9/h1,4-5H2,2-3H3
InChIKeyNDHXNKCUIQPKSJ-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
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

2-acetyl-2-methylcyclopropan-1-one
CID 58194854
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
1-chloro-3-methylidenecyclobutane-1-carboxylic acid
CID 67146328
1-(4-methylthian-4-yl)ethanone
CID 115012413
ethane;1-(1,3,3,5-tetramethyl-5-prop-1-en-2-ylcyclohexyl)ethanone
CID 142400933
2,2,6,6-tetramethyl-4-methylidenepiperidine
CID 58850535
1-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]ethanone
CID 76962993
(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
CID 126992987
1-(2-acetyl-4-methylidenecyclopentyl)ethanone
CID 13218158
1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
CID 12754424
(1R,5S)-1,5-dimethyl-7-methylidenebicyclo[3.3.1]nonan-3-ol
CID 10749891
(1-methylcyclopropanecarbonyl) 1-methylcyclopropane-1-carboxylate
CID 150043485

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-methylidenecyclobutyl)ethanone?
The IUPAC name of 1-(1-methyl-3-methylidenecyclobutyl)ethanone (CID 20614511) is 1-(1-methyl-3-methylidenecyclobutyl)ethanone.
What is the SMILES notation for 1-(1-methyl-3-methylidenecyclobutyl)ethanone?
The canonical SMILES for 1-(1-methyl-3-methylidenecyclobutyl)ethanone is C=C1CC(C)(C(C)=O)C1.
What is the InChIKey of 1-(1-methyl-3-methylidenecyclobutyl)ethanone?
The InChIKey is NDHXNKCUIQPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-8(3,5-6)7(2)9/h1,4-5H2,2-3H3.
What are the key properties of 1-(1-methyl-3-methylidenecyclobutyl)ethanone?
1-(1-methyl-3-methylidenecyclobutyl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-methylidenecyclobutyl)ethanone is sourced from PubChem (CID 20614511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).