1-imidazol-1-ylpropylcarbamic acid

C7H11N3O2 — CID 22276291

IUPAC1-imidazol-1-ylpropylcarbamic acid
SMILESCCC(NC(=O)O)n1ccnc1
InChIInChI=1S/C7H11N3O2/c1-2-6(9-7(11)12)10-4-3-8-5-10/h3-6,9H,2H2,1H3,(H,11,12)
InChIKeyNUPRZJICDQGBRK-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.06
Rot. Bonds3

About 1-imidazol-1-ylpropylcarbamic acid

1-imidazol-1-ylpropylcarbamic acid (PubChem CID 22276291) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-imidazol-1-ylpropylcarbamic acid.

Molecular Properties

Compound Name1-imidazol-1-ylpropylcarbamic acid
PubChem CID22276291
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-imidazol-1-ylpropylcarbamic acid
SMILESCCC(NC(=O)O)n1ccnc1
InChIInChI=1S/C7H11N3O2/c1-2-6(9-7(11)12)10-4-3-8-5-10/h3-6,9H,2H2,1H3,(H,11,12)
InChIKeyNUPRZJICDQGBRK-UHFFFAOYSA-N
XLogP1.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-imidazol-1-ylpropylcarbamic acid 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-imidazol-1-ylpropylcarbamic acid?
The IUPAC name of 1-imidazol-1-ylpropylcarbamic acid (CID 22276291) is 1-imidazol-1-ylpropylcarbamic acid.
What is the SMILES notation for 1-imidazol-1-ylpropylcarbamic acid?
The canonical SMILES for 1-imidazol-1-ylpropylcarbamic acid is CCC(NC(=O)O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-ylpropylcarbamic acid?
The InChIKey is NUPRZJICDQGBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-6(9-7(11)12)10-4-3-8-5-10/h3-6,9H,2H2,1H3,(H,11,12).
What are the key properties of 1-imidazol-1-ylpropylcarbamic acid?
1-imidazol-1-ylpropylcarbamic acid has a molecular weight of 169.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylpropylcarbamic acid is sourced from PubChem (CID 22276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).