2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one

C8H10O — CID 164818321

IUPAC2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one
SMILESCC(C)=Cc1c(C)c1=O
InChIInChI=1S/C8H10O/c1-5(2)4-7-6(3)8(7)9/h4H,1-3H3
InChIKeyJMBSUCCDDIRFKL-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one

2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one (PubChem CID 164818321) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one
PubChem CID164818321
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one
SMILESCC(C)=Cc1c(C)c1=O
InChIInChI=1S/C8H10O/c1-5(2)4-7-6(3)8(7)9/h4H,1-3H3
InChIKeyJMBSUCCDDIRFKL-UHFFFAOYSA-N
XLogP1.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one?
The IUPAC name of 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one (CID 164818321) is 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one.
What is the SMILES notation for 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one?
The canonical SMILES for 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one is CC(C)=Cc1c(C)c1=O.
What is the InChIKey of 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one?
The InChIKey is JMBSUCCDDIRFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-5(2)4-7-6(3)8(7)9/h4H,1-3H3.
What are the key properties of 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one?
2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-1-enyl)cycloprop-2-en-1-one is sourced from PubChem (CID 164818321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).