(Z)-5-methoxypent-3-en-2-one

C6H10O2 — CID 45085071

IUPAC(Z)-5-methoxypent-3-en-2-one
SMILESCOC/C=C\C(C)=O
InChIInChI=1S/C6H10O2/c1-6(7)4-3-5-8-2/h3-4H,5H2,1-2H3/b4-3-
InChIKeyJVFCLMBHAHOOKN-ARJAWSKDSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds3

About (Z)-5-methoxypent-3-en-2-one

(Z)-5-methoxypent-3-en-2-one (PubChem CID 45085071) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (Z)-5-methoxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-5-methoxypent-3-en-2-one
PubChem CID45085071
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(Z)-5-methoxypent-3-en-2-one
SMILESCOC/C=C\C(C)=O
InChIInChI=1S/C6H10O2/c1-6(7)4-3-5-8-2/h3-4H,5H2,1-2H3/b4-3-
InChIKeyJVFCLMBHAHOOKN-ARJAWSKDSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-methoxypent-3-en-2-one?
The IUPAC name of (Z)-5-methoxypent-3-en-2-one (CID 45085071) is (Z)-5-methoxypent-3-en-2-one.
What is the SMILES notation for (Z)-5-methoxypent-3-en-2-one?
The canonical SMILES for (Z)-5-methoxypent-3-en-2-one is COC/C=C\C(C)=O.
What is the InChIKey of (Z)-5-methoxypent-3-en-2-one?
The InChIKey is JVFCLMBHAHOOKN-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(7)4-3-5-8-2/h3-4H,5H2,1-2H3/b4-3-.
What are the key properties of (Z)-5-methoxypent-3-en-2-one?
(Z)-5-methoxypent-3-en-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methoxypent-3-en-2-one is sourced from PubChem (CID 45085071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).