propan-2-yl N-(furan-2-yl)carbamate

C8H11NO3 — CID 12774670

IUPACpropan-2-yl N-(furan-2-yl)carbamate
SMILESCC(C)OC(=O)Nc1ccco1
InChIInChI=1S/C8H11NO3/c1-6(2)12-8(10)9-7-4-3-5-11-7/h3-6H,1-2H3,(H,9,10)
InChIKeyWXRJNJWUFREFQG-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.24
Rot. Bonds2

About propan-2-yl N-(furan-2-yl)carbamate

propan-2-yl N-(furan-2-yl)carbamate (PubChem CID 12774670) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is propan-2-yl N-(furan-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(furan-2-yl)carbamate
PubChem CID12774670
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namepropan-2-yl N-(furan-2-yl)carbamate
SMILESCC(C)OC(=O)Nc1ccco1
InChIInChI=1S/C8H11NO3/c1-6(2)12-8(10)9-7-4-3-5-11-7/h3-6H,1-2H3,(H,9,10)
InChIKeyWXRJNJWUFREFQG-UHFFFAOYSA-N
XLogP2.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl N-(furan-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 N-(furan-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(furan-2-yl)carbamate (CID 12774670) is propan-2-yl N-(furan-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(furan-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(furan-2-yl)carbamate is CC(C)OC(=O)Nc1ccco1.
What is the InChIKey of propan-2-yl N-(furan-2-yl)carbamate?
The InChIKey is WXRJNJWUFREFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(2)12-8(10)9-7-4-3-5-11-7/h3-6H,1-2H3,(H,9,10).
What are the key properties of propan-2-yl N-(furan-2-yl)carbamate?
propan-2-yl N-(furan-2-yl)carbamate has a molecular weight of 169.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(furan-2-yl)carbamate is sourced from PubChem (CID 12774670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).