methyl N-[(Z)-2-phenylethenyl]carbamate

C10H11NO2 — CID 14185084

IUPACmethyl N-[(Z)-2-phenylethenyl]carbamate
SMILESCOC(=O)N/C=C\c1ccccc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7-
InChIKeyTUNKFMXAJGUPEA-FPLPWBNLSA-N
MW177.20 g/mol
LogP2.01
Rot. Bonds2

About methyl N-[(Z)-2-phenylethenyl]carbamate

methyl N-[(Z)-2-phenylethenyl]carbamate (PubChem CID 14185084) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl N-[(Z)-2-phenylethenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-2-phenylethenyl]carbamate
PubChem CID14185084
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl N-[(Z)-2-phenylethenyl]carbamate
SMILESCOC(=O)N/C=C\c1ccccc1
InChIInChI=1S/C10H11NO2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7-
InChIKeyTUNKFMXAJGUPEA-FPLPWBNLSA-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-[(Z)-2-phenylethenyl]carbamate?
The IUPAC name of methyl N-[(Z)-2-phenylethenyl]carbamate (CID 14185084) is methyl N-[(Z)-2-phenylethenyl]carbamate.
What is the SMILES notation for methyl N-[(Z)-2-phenylethenyl]carbamate?
The canonical SMILES for methyl N-[(Z)-2-phenylethenyl]carbamate is COC(=O)N/C=C\c1ccccc1.
What is the InChIKey of methyl N-[(Z)-2-phenylethenyl]carbamate?
The InChIKey is TUNKFMXAJGUPEA-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,11,12)/b8-7-.
What are the key properties of methyl N-[(Z)-2-phenylethenyl]carbamate?
methyl N-[(Z)-2-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-[(Z)-2-phenylethenyl]carbamate is sourced from PubChem (CID 14185084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).