2-prop-1-en-2-yloxypent-1-en-3-one

C8H12O2 — CID 143815540

IUPAC2-prop-1-en-2-yloxypent-1-en-3-one
SMILESC=C(C)OC(=C)C(=O)CC
InChIInChI=1S/C8H12O2/c1-5-8(9)7(4)10-6(2)3/h2,4-5H2,1,3H3
InChIKeyILPCZSVVQZOKFG-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.03
Rot. Bonds4

About 2-prop-1-en-2-yloxypent-1-en-3-one

2-prop-1-en-2-yloxypent-1-en-3-one (PubChem CID 143815540) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-prop-1-en-2-yloxypent-1-en-3-one.

Molecular Properties

Compound Name2-prop-1-en-2-yloxypent-1-en-3-one
PubChem CID143815540
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-prop-1-en-2-yloxypent-1-en-3-one
SMILESC=C(C)OC(=C)C(=O)CC
InChIInChI=1S/C8H12O2/c1-5-8(9)7(4)10-6(2)3/h2,4-5H2,1,3H3
InChIKeyILPCZSVVQZOKFG-UHFFFAOYSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-prop-1-en-2-yloxypent-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethoxy-4-methylpenta-1,4-dien-3-one
CID 71377798
(4-Methyl-3-oxopenta-1,4-dien-2-yl) propanoate
CID 19105847
(4-Methyl-3-oxopenta-1,4-dien-2-yl) acetate
CID 19105849
3-(3-Oxobut-1-en-2-yloxy)but-3-en-2-one
CID 19697227
3-Oxopent-1-en-2-yl acetate
CID 20195146
2-Methoxypent-1-en-3-one
CID 123812542
3-Prop-1-en-2-yloxybut-3-en-2-one
CID 141902301
2-Ethoxyhex-1-en-3-one
CID 13040570
2-Methyl-4-propoxypenta-1,4-dien-3-one
CID 101461880
2-Ethoxypent-1-en-3-one
CID 130028330

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-yloxypent-1-en-3-one?
The IUPAC name of 2-prop-1-en-2-yloxypent-1-en-3-one (CID 143815540) is 2-prop-1-en-2-yloxypent-1-en-3-one.
What is the SMILES notation for 2-prop-1-en-2-yloxypent-1-en-3-one?
The canonical SMILES for 2-prop-1-en-2-yloxypent-1-en-3-one is C=C(C)OC(=C)C(=O)CC.
What is the InChIKey of 2-prop-1-en-2-yloxypent-1-en-3-one?
The InChIKey is ILPCZSVVQZOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-8(9)7(4)10-6(2)3/h2,4-5H2,1,3H3.
What are the key properties of 2-prop-1-en-2-yloxypent-1-en-3-one?
2-prop-1-en-2-yloxypent-1-en-3-one has a molecular weight of 140.18 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-yloxypent-1-en-3-one is sourced from PubChem (CID 143815540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).