3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one

C11H16O — CID 12856959

IUPAC3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one
SMILESCCC/C=C/C1=C(C)CCC1=O
InChIInChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyHSOCLPVBLYBQSN-AATRIKPKSA-N
MW164.25 g/mol
LogP3.02
Rot. Bonds3

About 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one

3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one (PubChem CID 12856959) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one
PubChem CID12856959
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one
SMILESCCC/C=C/C1=C(C)CCC1=O
InChIInChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyHSOCLPVBLYBQSN-AATRIKPKSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one (CID 12856959) is 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one is CCC/C=C/C1=C(C)CCC1=O.
What is the InChIKey of 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one?
The InChIKey is HSOCLPVBLYBQSN-AATRIKPKSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h5-6H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one?
3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-pent-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 12856959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).