2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one

C7H11N3O — CID 82997479

IUPAC2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one
SMILESCC1(C2CC2)N=C(N)NC1=O
InChIInChI=1S/C7H11N3O/c1-7(4-2-3-4)5(11)9-6(8)10-7/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKeyOOJJLORSUZDVIJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.40
Rot. Bonds1

About 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one

2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one (PubChem CID 82997479) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one
PubChem CID82997479
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one
SMILESCC1(C2CC2)N=C(N)NC1=O
InChIInChI=1S/C7H11N3O/c1-7(4-2-3-4)5(11)9-6(8)10-7/h4H,2-3H2,1H3,(H3,8,9,10,11)
InChIKeyOOJJLORSUZDVIJ-UHFFFAOYSA-N
XLogP-0.40
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-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 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one (CID 82997479) is 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one is CC1(C2CC2)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
The InChIKey is OOJJLORSUZDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-7(4-2-3-4)5(11)9-6(8)10-7/h4H,2-3H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one?
2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one has a molecular weight of 153.18 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclopropyl-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82997479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).