2-methylpropyl N-(furan-3-yl)carbamate

C9H13NO3 — CID 68519904

IUPAC2-methylpropyl N-(furan-3-yl)carbamate
SMILESCC(C)COC(=O)Nc1ccoc1
InChIInChI=1S/C9H13NO3/c1-7(2)5-13-9(11)10-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeyKGXWTCSEMVBETL-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.48
Rot. Bonds3

About 2-methylpropyl N-(furan-3-yl)carbamate

2-methylpropyl N-(furan-3-yl)carbamate (PubChem CID 68519904) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methylpropyl N-(furan-3-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(furan-3-yl)carbamate
PubChem CID68519904
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-methylpropyl N-(furan-3-yl)carbamate
SMILESCC(C)COC(=O)Nc1ccoc1
InChIInChI=1S/C9H13NO3/c1-7(2)5-13-9(11)10-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11)
InChIKeyKGXWTCSEMVBETL-UHFFFAOYSA-N
XLogP2.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(furan-3-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(furan-3-yl)carbamate (CID 68519904) is 2-methylpropyl N-(furan-3-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(furan-3-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(furan-3-yl)carbamate is CC(C)COC(=O)Nc1ccoc1.
What is the InChIKey of 2-methylpropyl N-(furan-3-yl)carbamate?
The InChIKey is KGXWTCSEMVBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(2)5-13-9(11)10-8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H,10,11).
What are the key properties of 2-methylpropyl N-(furan-3-yl)carbamate?
2-methylpropyl N-(furan-3-yl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(furan-3-yl)carbamate is sourced from PubChem (CID 68519904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).