1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one

C10H17N3O — CID 80580234

IUPAC1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCCNC2CC2)c1=O
InChIInChI=1S/C10H17N3O/c1-12-7-8-13(10(12)14)6-2-5-11-9-3-4-9/h7-9,11H,2-6H2,1H3
InChIKeyRLUYAFIYXCVMRO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.33
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one

1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one (PubChem CID 80580234) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one
PubChem CID80580234
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCCNC2CC2)c1=O
InChIInChI=1S/C10H17N3O/c1-12-7-8-13(10(12)14)6-2-5-11-9-3-4-9/h7-9,11H,2-6H2,1H3
InChIKeyRLUYAFIYXCVMRO-UHFFFAOYSA-N
XLogP0.33
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-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-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one (CID 80580234) is 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one is Cn1ccn(CCCNC2CC2)c1=O.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one?
The InChIKey is RLUYAFIYXCVMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-7-8-13(10(12)14)6-2-5-11-9-3-4-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one?
1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80580234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).