propan-2-yl carbamate

C4H9NO2 — CID 15628

IUPACpropan-2-yl carbamate
SMILESCC(C)OC(N)=O
InChIInChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)
InChIKeyOVPLZYJGTGDFNB-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.49
Rot. Bonds1

About propan-2-yl carbamate

propan-2-yl carbamate (PubChem CID 15628) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is propan-2-yl carbamate.

Molecular Properties

Compound Namepropan-2-yl carbamate
PubChem CID15628
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Namepropan-2-yl carbamate
SMILESCC(C)OC(N)=O
InChIInChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)
InChIKeyOVPLZYJGTGDFNB-UHFFFAOYSA-N
XLogP0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze propan-2-yl carbamate 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 propan-2-yl carbamate?
The IUPAC name of propan-2-yl carbamate (CID 15628) is propan-2-yl carbamate.
What is the SMILES notation for propan-2-yl carbamate?
The canonical SMILES for propan-2-yl carbamate is CC(C)OC(N)=O.
What is the InChIKey of propan-2-yl carbamate?
The InChIKey is OVPLZYJGTGDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6).
What are the key properties of propan-2-yl carbamate?
propan-2-yl carbamate has a molecular weight of 103.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl carbamate is sourced from PubChem (CID 15628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).