3-methyl-2-propylcyclopent-2-en-1-one

C9H14O — CID 11423630

IUPAC3-methyl-2-propylcyclopent-2-en-1-one
SMILESCCCC1=C(C)CCC1=O
InChIInChI=1S/C9H14O/c1-3-4-8-7(2)5-6-9(8)10/h3-6H2,1-2H3
InChIKeyIAGSPEBQNJDWDZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-2-propylcyclopent-2-en-1-one

3-methyl-2-propylcyclopent-2-en-1-one (PubChem CID 11423630) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-2-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-propylcyclopent-2-en-1-one
PubChem CID11423630
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-methyl-2-propylcyclopent-2-en-1-one
SMILESCCCC1=C(C)CCC1=O
InChIInChI=1S/C9H14O/c1-3-4-8-7(2)5-6-9(8)10/h3-6H2,1-2H3
InChIKeyIAGSPEBQNJDWDZ-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propylcyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-propylcyclopent-2-en-1-one (CID 11423630) is 3-methyl-2-propylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-propylcyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-propylcyclopent-2-en-1-one is CCCC1=C(C)CCC1=O.
What is the InChIKey of 3-methyl-2-propylcyclopent-2-en-1-one?
The InChIKey is IAGSPEBQNJDWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-4-8-7(2)5-6-9(8)10/h3-6H2,1-2H3.
What are the key properties of 3-methyl-2-propylcyclopent-2-en-1-one?
3-methyl-2-propylcyclopent-2-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propylcyclopent-2-en-1-one is sourced from PubChem (CID 11423630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).