phenyl N-ethylidenecarbamate

C9H9NO2 — CID 57026062

IUPACphenyl N-ethylidenecarbamate
SMILESCC=NC(=O)Oc1ccccc1
InChIInChI=1S/C9H9NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2-7H,1H3
InChIKeyWKZBJSKCHQWYHL-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.28
Rot. Bonds1

About phenyl N-ethylidenecarbamate

phenyl N-ethylidenecarbamate (PubChem CID 57026062) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is phenyl N-ethylidenecarbamate.

Molecular Properties

Compound Namephenyl N-ethylidenecarbamate
PubChem CID57026062
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Namephenyl N-ethylidenecarbamate
SMILESCC=NC(=O)Oc1ccccc1
InChIInChI=1S/C9H9NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2-7H,1H3
InChIKeyWKZBJSKCHQWYHL-UHFFFAOYSA-N
XLogP2.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

phenyl (NZ)-N-(1-aminoethylidene)carbamate
CID 20754860
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phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
diphenyl oxalate;ethane
CID 162013592
(E)-1-phenoxyprop-1-en-1-ol
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CID 89398517
phenyl 2-methylpenta-2,3-dienoate
CID 175306747
phenyl carbamate;prop-1-ene
CID 158313196
methyl (1Z,2Z)-N-phenoxycarbonylpenta-2,4-dienimidate
CID 177469291
phenyl acetate;hydroiodide
CID 172788123

Frequently Asked Questions

What is the IUPAC name of phenyl N-ethylidenecarbamate?
The IUPAC name of phenyl N-ethylidenecarbamate (CID 57026062) is phenyl N-ethylidenecarbamate.
What is the SMILES notation for phenyl N-ethylidenecarbamate?
The canonical SMILES for phenyl N-ethylidenecarbamate is CC=NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-ethylidenecarbamate?
The InChIKey is WKZBJSKCHQWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2-7H,1H3.
What are the key properties of phenyl N-ethylidenecarbamate?
phenyl N-ethylidenecarbamate has a molecular weight of 163.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-ethylidenecarbamate is sourced from PubChem (CID 57026062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).