4-acetyl-3-methoxycyclopent-2-en-1-one

C8H10O3 — CID 141050009

IUPAC4-acetyl-3-methoxycyclopent-2-en-1-one
SMILESCOC1=CC(=O)CC1C(C)=O
InChIInChI=1S/C8H10O3/c1-5(9)7-3-6(10)4-8(7)11-2/h4,7H,3H2,1-2H3
InChIKeyNVRYLWIEUIOHPF-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.69
Rot. Bonds2

About 4-acetyl-3-methoxycyclopent-2-en-1-one

4-acetyl-3-methoxycyclopent-2-en-1-one (PubChem CID 141050009) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-acetyl-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-acetyl-3-methoxycyclopent-2-en-1-one
PubChem CID141050009
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-acetyl-3-methoxycyclopent-2-en-1-one
SMILESCOC1=CC(=O)CC1C(C)=O
InChIInChI=1S/C8H10O3/c1-5(9)7-3-6(10)4-8(7)11-2/h4,7H,3H2,1-2H3
InChIKeyNVRYLWIEUIOHPF-UHFFFAOYSA-N
XLogP0.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327
(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
CID 135080642
3-Methoxy-5-methylcyclohex-2-en-1-one
CID 12641265
3-Methoxy-2-methyl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134877714
(5S)-3-methoxy-5-[(Z)-2-methoxyethenyl]cyclopent-2-en-1-one
CID 135080718
2-Cyclopenten-1-one, 3-methoxy-5-methyl-
CID 574102
3-Methoxy-4-methyl-2-cyclopenten-1-one
CID 574103
3-Methoxy-6-methylcyclohex-2-en-1-one
CID 10558702
5-But-3-enyl-3-(2-methylpropoxy)cyclopent-2-en-1-one
CID 20263827
3-(2-Methylpropoxy)-5-propylcyclopent-2-en-1-one
CID 20263856
3-Methoxy-5-propan-2-ylcyclopent-2-en-1-one
CID 21676995
5-Ethyl-3-methoxycyclopent-2-en-1-one
CID 90304713

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 4-acetyl-3-methoxycyclopent-2-en-1-one (CID 141050009) is 4-acetyl-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 4-acetyl-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 4-acetyl-3-methoxycyclopent-2-en-1-one is COC1=CC(=O)CC1C(C)=O.
What is the InChIKey of 4-acetyl-3-methoxycyclopent-2-en-1-one?
The InChIKey is NVRYLWIEUIOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(9)7-3-6(10)4-8(7)11-2/h4,7H,3H2,1-2H3.
What are the key properties of 4-acetyl-3-methoxycyclopent-2-en-1-one?
4-acetyl-3-methoxycyclopent-2-en-1-one has a molecular weight of 154.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 141050009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).