2-methylidene-3-propan-2-ylcyclobutan-1-one

C8H12O — CID 130031510

IUPAC2-methylidene-3-propan-2-ylcyclobutan-1-one
SMILESC=C1C(=O)CC1C(C)C
InChIInChI=1S/C8H12O/c1-5(2)7-4-8(9)6(7)3/h5,7H,3-4H2,1-2H3
InChIKeyFKLQLWVPKCXSDZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.79
Rot. Bonds1

About 2-methylidene-3-propan-2-ylcyclobutan-1-one

2-methylidene-3-propan-2-ylcyclobutan-1-one (PubChem CID 130031510) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 2-methylidene-3-propan-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name2-methylidene-3-propan-2-ylcyclobutan-1-one
PubChem CID130031510
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name2-methylidene-3-propan-2-ylcyclobutan-1-one
SMILESC=C1C(=O)CC1C(C)C
InChIInChI=1S/C8H12O/c1-5(2)7-4-8(9)6(7)3/h5,7H,3-4H2,1-2H3
InChIKeyFKLQLWVPKCXSDZ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-propan-2-ylcyclobutan-1-one?
The IUPAC name of 2-methylidene-3-propan-2-ylcyclobutan-1-one (CID 130031510) is 2-methylidene-3-propan-2-ylcyclobutan-1-one.
What is the SMILES notation for 2-methylidene-3-propan-2-ylcyclobutan-1-one?
The canonical SMILES for 2-methylidene-3-propan-2-ylcyclobutan-1-one is C=C1C(=O)CC1C(C)C.
What is the InChIKey of 2-methylidene-3-propan-2-ylcyclobutan-1-one?
The InChIKey is FKLQLWVPKCXSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5(2)7-4-8(9)6(7)3/h5,7H,3-4H2,1-2H3.
What are the key properties of 2-methylidene-3-propan-2-ylcyclobutan-1-one?
2-methylidene-3-propan-2-ylcyclobutan-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-propan-2-ylcyclobutan-1-one is sourced from PubChem (CID 130031510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).