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

C9H13NO3 — CID 21401

IUPACpropan-2-yl N-(furan-2-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1ccco1
InChIInChI=1S/C9H13NO3/c1-7(2)13-9(11)10-6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyJZCBXDSLFBPBAH-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.91
Rot. Bonds3

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

propan-2-yl N-(furan-2-ylmethyl)carbamate (PubChem CID 21401) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is propan-2-yl N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(furan-2-ylmethyl)carbamate
PubChem CID21401
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namepropan-2-yl N-(furan-2-ylmethyl)carbamate
SMILESCC(C)OC(=O)NCc1ccco1
InChIInChI=1S/C9H13NO3/c1-7(2)13-9(11)10-6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChIKeyJZCBXDSLFBPBAH-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(furan-2-ylmethyl)carbamate?
The IUPAC name of propan-2-yl N-(furan-2-ylmethyl)carbamate (CID 21401) is propan-2-yl N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for propan-2-yl N-(furan-2-ylmethyl)carbamate is CC(C)OC(=O)NCc1ccco1.
What is the InChIKey of propan-2-yl N-(furan-2-ylmethyl)carbamate?
The InChIKey is JZCBXDSLFBPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7(2)13-9(11)10-6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,10,11).
What are the key properties of propan-2-yl N-(furan-2-ylmethyl)carbamate?
propan-2-yl N-(furan-2-ylmethyl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.91, 3 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-ylmethyl)carbamate is sourced from PubChem (CID 21401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).