benzyl N-cyclopropylcarbamate

C11H13NO2 — CID 13141013

IUPACbenzyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(12-10-6-7-10)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKeyANHOWPBVPPIHML-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.08
Rot. Bonds3

About benzyl N-cyclopropylcarbamate

benzyl N-cyclopropylcarbamate (PubChem CID 13141013) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is benzyl N-cyclopropylcarbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropylcarbamate
PubChem CID13141013
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namebenzyl N-cyclopropylcarbamate
SMILESO=C(NC1CC1)OCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(12-10-6-7-10)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
InChIKeyANHOWPBVPPIHML-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropylcarbamate?
The IUPAC name of benzyl N-cyclopropylcarbamate (CID 13141013) is benzyl N-cyclopropylcarbamate.
What is the SMILES notation for benzyl N-cyclopropylcarbamate?
The canonical SMILES for benzyl N-cyclopropylcarbamate is O=C(NC1CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-cyclopropylcarbamate?
The InChIKey is ANHOWPBVPPIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(12-10-6-7-10)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13).
What are the key properties of benzyl N-cyclopropylcarbamate?
benzyl N-cyclopropylcarbamate has a molecular weight of 191.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropylcarbamate is sourced from PubChem (CID 13141013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).