methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate

C11H11N3O2 — CID 2589936

IUPACmethyl N-[1-(4-cyanophenyl)ethenylamino]carbamate
SMILESC=C(NNC(=O)OC)c1ccc(C#N)cc1
InChIInChI=1S/C11H11N3O2/c1-8(13-14-11(15)16-2)10-5-3-9(7-12)4-6-10/h3-6,13H,1H2,2H3,(H,14,15)
InChIKeySOQDZDRURXLTSZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.39
Rot. Bonds3

About methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate

methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate (PubChem CID 2589936) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(4-cyanophenyl)ethenylamino]carbamate
PubChem CID2589936
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl N-[1-(4-cyanophenyl)ethenylamino]carbamate
SMILESC=C(NNC(=O)OC)c1ccc(C#N)cc1
InChIInChI=1S/C11H11N3O2/c1-8(13-14-11(15)16-2)10-5-3-9(7-12)4-6-10/h3-6,13H,1H2,2H3,(H,14,15)
InChIKeySOQDZDRURXLTSZ-UHFFFAOYSA-N
XLogP1.39
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-cyanophenyl)ethenyl]-3,4-dimethoxybenzohydrazide
CID 2453941
N'-[1-(4-cyanophenyl)ethenyl]-4-fluorobenzohydrazide
CID 2588432
N'-[1-(4-cyanophenyl)ethenyl]pyridine-4-carbohydrazide
CID 2379623
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
tert-butyl N-(1-phenylethenylamino)carbamate
CID 2692506
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
(2E)-2-(4-cyanophenyl)-2-(phenylhydrazinylidene)acetic acid;ethane
CID 91067618
N-but-3-en-2-yl-4-cyanobenzamide
CID 115692147
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
(3S)-N'-[1-(4-cyanophenyl)ethenyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 2593408

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate?
The IUPAC name of methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate (CID 2589936) is methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate.
What is the SMILES notation for methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate?
The canonical SMILES for methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate is C=C(NNC(=O)OC)c1ccc(C#N)cc1.
What is the InChIKey of methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate?
The InChIKey is SOQDZDRURXLTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8(13-14-11(15)16-2)10-5-3-9(7-12)4-6-10/h3-6,13H,1H2,2H3,(H,14,15).
What are the key properties of methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate?
methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate has a molecular weight of 217.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(4-cyanophenyl)ethenylamino]carbamate is sourced from PubChem (CID 2589936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).