2,5-dimethyl-3-propylcyclopent-2-en-1-one

C10H16O — CID 139667465

IUPAC2,5-dimethyl-3-propylcyclopent-2-en-1-one
SMILESCCCC1=C(C)C(=O)C(C)C1
InChIInChI=1S/C10H16O/c1-4-5-9-6-7(2)10(11)8(9)3/h7H,4-6H2,1-3H3
InChIKeyGXTZPFDDUDJCGX-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds2

About 2,5-dimethyl-3-propylcyclopent-2-en-1-one

2,5-dimethyl-3-propylcyclopent-2-en-1-one (PubChem CID 139667465) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,5-dimethyl-3-propylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2,5-dimethyl-3-propylcyclopent-2-en-1-one
PubChem CID139667465
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,5-dimethyl-3-propylcyclopent-2-en-1-one
SMILESCCCC1=C(C)C(=O)C(C)C1
InChIInChI=1S/C10H16O/c1-4-5-9-6-7(2)10(11)8(9)3/h7H,4-6H2,1-3H3
InChIKeyGXTZPFDDUDJCGX-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-2,5-dimethyl-2,3-dihydropyran-6-one
CID 13058489
(3S,4S)-3,4-dimethyl-1,2-dipropylcyclopentene
CID 101214135
3,4-diethyl-6-methylcyclohex-3-en-1-one
CID 59163895
5-ethyl-2,3-dimethylcyclopent-2-en-1-one
CID 45140128
4-[2-(2,7-dimethyl-1-oxo-2,3-dihydroinden-4-yl)ethyl]-2,7-dimethyl-2,3-dihydroinden-1-one
CID 57180286
2-methyl-4,5-dipropyl-1-[(2,4,6-trimethylphenyl)methyl]-2,3-dihydropyridin-6-one
CID 175545877
1,3-dimethyl-2-propylcyclopentene
CID 143544281
3-methoxy-2,4,6-trimethylcyclohex-2-en-1-one
CID 581132
(4Z,6R,9aS)-5-butyl-3,6-dimethyl-6,7,9,9a-tetrahydro-1H-cyclopenta[8]annulene-2,8-dione
CID 102013480
1-ethyl-2,5-dimethyl-6,7-dihydro-5H-indol-4-one
CID 121015503
1-methyl-2-propylcyclohexa-1,4-diene
CID 165065893
3-butyl-4-chloro-2-methylcyclobut-2-en-1-one
CID 14964185

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-propylcyclopent-2-en-1-one?
The IUPAC name of 2,5-dimethyl-3-propylcyclopent-2-en-1-one (CID 139667465) is 2,5-dimethyl-3-propylcyclopent-2-en-1-one.
What is the SMILES notation for 2,5-dimethyl-3-propylcyclopent-2-en-1-one?
The canonical SMILES for 2,5-dimethyl-3-propylcyclopent-2-en-1-one is CCCC1=C(C)C(=O)C(C)C1.
What is the InChIKey of 2,5-dimethyl-3-propylcyclopent-2-en-1-one?
The InChIKey is GXTZPFDDUDJCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-5-9-6-7(2)10(11)8(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-propylcyclopent-2-en-1-one?
2,5-dimethyl-3-propylcyclopent-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-propylcyclopent-2-en-1-one is sourced from PubChem (CID 139667465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).