3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one

C10H17NO2 — CID 104787795

IUPAC3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one
SMILESCOCC(C)N(C)C1=CC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(7-13-3)11(2)9-4-5-10(12)6-9/h6,8H,4-5,7H2,1-3H3
InChIKeyQJZZUKZAPIJVPW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds4

About 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one

3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one (PubChem CID 104787795) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one
PubChem CID104787795
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one
SMILESCOCC(C)N(C)C1=CC(=O)CC1
InChIInChI=1S/C10H17NO2/c1-8(7-13-3)11(2)9-4-5-10(12)6-9/h6,8H,4-5,7H2,1-3H3
InChIKeyQJZZUKZAPIJVPW-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-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 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one (CID 104787795) is 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one is COCC(C)N(C)C1=CC(=O)CC1.
What is the InChIKey of 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one?
The InChIKey is QJZZUKZAPIJVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(7-13-3)11(2)9-4-5-10(12)6-9/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one?
3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methoxypropan-2-yl(methyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).