phenyl (NZ)-N-(1-aminoethylidene)carbamate

C9H10N2O2 — CID 20754860

IUPACphenyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)Oc1ccccc1
InChIInChI=1S/C9H10N2O2/c1-7(10)11-9(12)13-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyFWUWKTFVEXXLPJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.56
Rot. Bonds1

About phenyl (NZ)-N-(1-aminoethylidene)carbamate

phenyl (NZ)-N-(1-aminoethylidene)carbamate (PubChem CID 20754860) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is phenyl (NZ)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Namephenyl (NZ)-N-(1-aminoethylidene)carbamate
PubChem CID20754860
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namephenyl (NZ)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N/C(=O)Oc1ccccc1
InChIInChI=1S/C9H10N2O2/c1-7(10)11-9(12)13-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyFWUWKTFVEXXLPJ-UHFFFAOYSA-N
XLogP1.56
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl N-ethylidenecarbamate
CID 57026062
phenyl N-sulfanylidenecarbamate
CID 13221372
phenyl acetate;hydroiodide
CID 172788123
phenoxycarbonyliminocarbamic acid
CID 68503217
acetamide;phenyl propanoate
CID 175120271
sodium;hydride;phenyl acetate
CID 159991718
lithium;hydride;phenyl acetate
CID 173276859
butane;phenyl carbamate
CID 145076324
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
diphenyl oxalate;ethane
CID 162013592
phenoxybenzene;phenyl acetate
CID 159251324
diphenyl carbonate;phenyl acetate
CID 90936233

Frequently Asked Questions

What is the IUPAC name of phenyl (NZ)-N-(1-aminoethylidene)carbamate?
The IUPAC name of phenyl (NZ)-N-(1-aminoethylidene)carbamate (CID 20754860) is phenyl (NZ)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for phenyl (NZ)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for phenyl (NZ)-N-(1-aminoethylidene)carbamate is C/C(N)=N/C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (NZ)-N-(1-aminoethylidene)carbamate?
The InChIKey is FWUWKTFVEXXLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(10)11-9(12)13-8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12).
What are the key properties of phenyl (NZ)-N-(1-aminoethylidene)carbamate?
phenyl (NZ)-N-(1-aminoethylidene)carbamate has a molecular weight of 178.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (NZ)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 20754860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).