3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one

C11H17NO — CID 104788532

IUPAC3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one
SMILESCC(CC1CC1)NC1=CC(=O)CC1
InChIInChI=1S/C11H17NO/c1-8(6-9-2-3-9)12-10-4-5-11(13)7-10/h7-9,12H,2-6H2,1H3
InChIKeyUDPRZIVPZFMLEY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.01
Rot. Bonds4

About 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one

3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one (PubChem CID 104788532) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one
PubChem CID104788532
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one
SMILESCC(CC1CC1)NC1=CC(=O)CC1
InChIInChI=1S/C11H17NO/c1-8(6-9-2-3-9)12-10-4-5-11(13)7-10/h7-9,12H,2-6H2,1H3
InChIKeyUDPRZIVPZFMLEY-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-cyclopropylpropan-2-ylamino)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-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one (CID 104788532) is 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one is CC(CC1CC1)NC1=CC(=O)CC1.
What is the InChIKey of 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one?
The InChIKey is UDPRZIVPZFMLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(6-9-2-3-9)12-10-4-5-11(13)7-10/h7-9,12H,2-6H2,1H3.
What are the key properties of 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one?
3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropan-2-ylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).