cyclopropylcarbamic acid

C4H7NO2 — CID 21412469

IUPACcyclopropylcarbamic acid
SMILESO=C(O)NC1CC1
InChIInChI=1S/C4H7NO2/c6-4(7)5-3-1-2-3/h3,5H,1-2H2,(H,6,7)
InChIKeyJHFINHOBWIGQHJ-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.42
Rot. Bonds1

About cyclopropylcarbamic acid

cyclopropylcarbamic acid (PubChem CID 21412469) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is cyclopropylcarbamic acid.

Molecular Properties

Compound Namecyclopropylcarbamic acid
PubChem CID21412469
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Namecyclopropylcarbamic acid
SMILESO=C(O)NC1CC1
InChIInChI=1S/C4H7NO2/c6-4(7)5-3-1-2-3/h3,5H,1-2H2,(H,6,7)
InChIKeyJHFINHOBWIGQHJ-UHFFFAOYSA-N
XLogP0.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclopropylcarbamic 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 cyclopropylcarbamic acid?
The IUPAC name of cyclopropylcarbamic acid (CID 21412469) is cyclopropylcarbamic acid.
What is the SMILES notation for cyclopropylcarbamic acid?
The canonical SMILES for cyclopropylcarbamic acid is O=C(O)NC1CC1.
What is the InChIKey of cyclopropylcarbamic acid?
The InChIKey is JHFINHOBWIGQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-4(7)5-3-1-2-3/h3,5H,1-2H2,(H,6,7).
What are the key properties of cyclopropylcarbamic acid?
cyclopropylcarbamic acid has a molecular weight of 101.11 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylcarbamic acid is sourced from PubChem (CID 21412469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).