1-prop-2-enoxypropan-2-one

C6H10O2 — CID 10909536

IUPAC1-prop-2-enoxypropan-2-one
SMILESC=CCOCC(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-8-5-6(2)7/h3H,1,4-5H2,2H3
InChIKeyQWKHXKFUGFQWAQ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds4

About 1-prop-2-enoxypropan-2-one

1-prop-2-enoxypropan-2-one (PubChem CID 10909536) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 1-prop-2-enoxypropan-2-one.

Molecular Properties

Compound Name1-prop-2-enoxypropan-2-one
PubChem CID10909536
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name1-prop-2-enoxypropan-2-one
SMILESC=CCOCC(C)=O
InChIInChI=1S/C6H10O2/c1-3-4-8-5-6(2)7/h3H,1,4-5H2,2H3
InChIKeyQWKHXKFUGFQWAQ-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-prop-2-enoxypropan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxypropan-2-one?
The IUPAC name of 1-prop-2-enoxypropan-2-one (CID 10909536) is 1-prop-2-enoxypropan-2-one.
What is the SMILES notation for 1-prop-2-enoxypropan-2-one?
The canonical SMILES for 1-prop-2-enoxypropan-2-one is C=CCOCC(C)=O.
What is the InChIKey of 1-prop-2-enoxypropan-2-one?
The InChIKey is QWKHXKFUGFQWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-8-5-6(2)7/h3H,1,4-5H2,2H3.
What are the key properties of 1-prop-2-enoxypropan-2-one?
1-prop-2-enoxypropan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxypropan-2-one is sourced from PubChem (CID 10909536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).