1-(2-methylcyclobuten-1-yl)ethanone

C7H10O — CID 15560815

IUPAC1-(2-methylcyclobuten-1-yl)ethanone
SMILESCC(=O)C1=C(C)CC1
InChIInChI=1S/C7H10O/c1-5-3-4-7(5)6(2)8/h3-4H2,1-2H3
InChIKeyOXRAKTPGEOKFIB-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.69
Rot. Bonds1

About 1-(2-methylcyclobuten-1-yl)ethanone

1-(2-methylcyclobuten-1-yl)ethanone (PubChem CID 15560815) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-(2-methylcyclobuten-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylcyclobuten-1-yl)ethanone
PubChem CID15560815
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-(2-methylcyclobuten-1-yl)ethanone
SMILESCC(=O)C1=C(C)CC1
InChIInChI=1S/C7H10O/c1-5-3-4-7(5)6(2)8/h3-4H2,1-2H3
InChIKeyOXRAKTPGEOKFIB-UHFFFAOYSA-N
XLogP1.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclobuten-1-yl)ethanone?
The IUPAC name of 1-(2-methylcyclobuten-1-yl)ethanone (CID 15560815) is 1-(2-methylcyclobuten-1-yl)ethanone.
What is the SMILES notation for 1-(2-methylcyclobuten-1-yl)ethanone?
The canonical SMILES for 1-(2-methylcyclobuten-1-yl)ethanone is CC(=O)C1=C(C)CC1.
What is the InChIKey of 1-(2-methylcyclobuten-1-yl)ethanone?
The InChIKey is OXRAKTPGEOKFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-4-7(5)6(2)8/h3-4H2,1-2H3.
What are the key properties of 1-(2-methylcyclobuten-1-yl)ethanone?
1-(2-methylcyclobuten-1-yl)ethanone has a molecular weight of 110.16 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclobuten-1-yl)ethanone is sourced from PubChem (CID 15560815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).