3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one

C8H13N3O — CID 103124813

IUPAC3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCNC1CC1
InChIInChI=1S/C8H13N3O/c12-8-10-4-6-11(8)5-3-9-7-1-2-7/h4,6-7,9H,1-3,5H2,(H,10,12)
InChIKeyRXEHZVWXGXIKOC-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.07
Rot. Bonds4

About 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one

3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one (PubChem CID 103124813) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
PubChem CID103124813
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1CCNC1CC1
InChIInChI=1S/C8H13N3O/c12-8-10-4-6-11(8)5-3-9-7-1-2-7/h4,6-7,9H,1-3,5H2,(H,10,12)
InChIKeyRXEHZVWXGXIKOC-UHFFFAOYSA-N
XLogP-0.07
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-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 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one (CID 103124813) is 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one is O=c1[nH]ccn1CCNC1CC1.
What is the InChIKey of 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one?
The InChIKey is RXEHZVWXGXIKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-10-4-6-11(8)5-3-9-7-1-2-7/h4,6-7,9H,1-3,5H2,(H,10,12).
What are the key properties of 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one?
3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).