methyl N-(1-phenylethenyl)carbamate

C10H11NO2 — CID 11636910

IUPACmethyl N-(1-phenylethenyl)carbamate
SMILESC=C(NC(=O)OC)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyOIAJOXKOXGQPHG-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.01
Rot. Bonds2

About methyl N-(1-phenylethenyl)carbamate

methyl N-(1-phenylethenyl)carbamate (PubChem CID 11636910) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl N-(1-phenylethenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-phenylethenyl)carbamate
PubChem CID11636910
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl N-(1-phenylethenyl)carbamate
SMILESC=C(NC(=O)OC)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)
InChIKeyOIAJOXKOXGQPHG-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-phenylethenyl)carbamate?
The IUPAC name of methyl N-(1-phenylethenyl)carbamate (CID 11636910) is methyl N-(1-phenylethenyl)carbamate.
What is the SMILES notation for methyl N-(1-phenylethenyl)carbamate?
The canonical SMILES for methyl N-(1-phenylethenyl)carbamate is C=C(NC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-(1-phenylethenyl)carbamate?
The InChIKey is OIAJOXKOXGQPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8(11-10(12)13-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12).
What are the key properties of methyl N-(1-phenylethenyl)carbamate?
methyl N-(1-phenylethenyl)carbamate has a molecular weight of 177.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-phenylethenyl)carbamate is sourced from PubChem (CID 11636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).