benzyl N-(1-phenylethenyl)carbamate

C16H15NO2 — CID 12003187

IUPACbenzyl N-(1-phenylethenyl)carbamate
SMILESC=C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-13(15-10-6-3-7-11-15)17-16(18)19-12-14-8-4-2-5-9-14/h2-11H,1,12H2,(H,17,18)
InChIKeyHCAPRCHZTKBBOP-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.58
Rot. Bonds4

About benzyl N-(1-phenylethenyl)carbamate

benzyl N-(1-phenylethenyl)carbamate (PubChem CID 12003187) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl N-(1-phenylethenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-phenylethenyl)carbamate
PubChem CID12003187
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namebenzyl N-(1-phenylethenyl)carbamate
SMILESC=C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-13(15-10-6-3-7-11-15)17-16(18)19-12-14-8-4-2-5-9-14/h2-11H,1,12H2,(H,17,18)
InChIKeyHCAPRCHZTKBBOP-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-phenylethenyl)carbamate?
The IUPAC name of benzyl N-(1-phenylethenyl)carbamate (CID 12003187) is benzyl N-(1-phenylethenyl)carbamate.
What is the SMILES notation for benzyl N-(1-phenylethenyl)carbamate?
The canonical SMILES for benzyl N-(1-phenylethenyl)carbamate is C=C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-(1-phenylethenyl)carbamate?
The InChIKey is HCAPRCHZTKBBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13(15-10-6-3-7-11-15)17-16(18)19-12-14-8-4-2-5-9-14/h2-11H,1,12H2,(H,17,18).
What are the key properties of benzyl N-(1-phenylethenyl)carbamate?
benzyl N-(1-phenylethenyl)carbamate has a molecular weight of 253.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-phenylethenyl)carbamate is sourced from PubChem (CID 12003187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).