benzyl N-(2-oxopropyl)carbamate

C11H13NO3 — CID 22747857

IUPACbenzyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKeyGVRXLHLFAABVLJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.50
Rot. Bonds4

About benzyl N-(2-oxopropyl)carbamate

benzyl N-(2-oxopropyl)carbamate (PubChem CID 22747857) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is benzyl N-(2-oxopropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxopropyl)carbamate
PubChem CID22747857
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namebenzyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
InChIKeyGVRXLHLFAABVLJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxopropyl)carbamate?
The IUPAC name of benzyl N-(2-oxopropyl)carbamate (CID 22747857) is benzyl N-(2-oxopropyl)carbamate.
What is the SMILES notation for benzyl N-(2-oxopropyl)carbamate?
The canonical SMILES for benzyl N-(2-oxopropyl)carbamate is CC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxopropyl)carbamate?
The InChIKey is GVRXLHLFAABVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14).
What are the key properties of benzyl N-(2-oxopropyl)carbamate?
benzyl N-(2-oxopropyl)carbamate has a molecular weight of 207.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxopropyl)carbamate is sourced from PubChem (CID 22747857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).