1-phenylpropan-2-yl carbamate

C10H13NO2 — CID 12825

IUPAC1-phenylpropan-2-yl carbamate
SMILESCC(Cc1ccccc1)OC(N)=O
InChIInChI=1S/C10H13NO2/c1-8(13-10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)
InChIKeyQWJRGNMSAAHHJP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.71
Rot. Bonds3

About 1-phenylpropan-2-yl carbamate

1-phenylpropan-2-yl carbamate (PubChem CID 12825) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-phenylpropan-2-yl carbamate.

Molecular Properties

Compound Name1-phenylpropan-2-yl carbamate
PubChem CID12825
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-phenylpropan-2-yl carbamate
SMILESCC(Cc1ccccc1)OC(N)=O
InChIInChI=1S/C10H13NO2/c1-8(13-10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12)
InChIKeyQWJRGNMSAAHHJP-UHFFFAOYSA-N
XLogP1.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenylpropan-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 1-phenylpropan-2-yl carbamate?
The IUPAC name of 1-phenylpropan-2-yl carbamate (CID 12825) is 1-phenylpropan-2-yl carbamate.
What is the SMILES notation for 1-phenylpropan-2-yl carbamate?
The canonical SMILES for 1-phenylpropan-2-yl carbamate is CC(Cc1ccccc1)OC(N)=O.
What is the InChIKey of 1-phenylpropan-2-yl carbamate?
The InChIKey is QWJRGNMSAAHHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(13-10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12).
What are the key properties of 1-phenylpropan-2-yl carbamate?
1-phenylpropan-2-yl carbamate has a molecular weight of 179.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-2-yl carbamate is sourced from PubChem (CID 12825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).