2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile

C11H13N3O — CID 88958814

IUPAC2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile
SMILESCOc1ccc(/C(N)=C\NCC#N)cc1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)11(13)8-14-7-6-12/h2-5,8,14H,7,13H2,1H3/b11-8+
InChIKeyOCGMLGFHZFDPRF-DHZHZOJOSA-N
MW203.24 g/mol
LogP1.07
Rot. Bonds4

About 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile

2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile (PubChem CID 88958814) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile
PubChem CID88958814
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile
SMILESCOc1ccc(/C(N)=C\NCC#N)cc1
InChIInChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)11(13)8-14-7-6-12/h2-5,8,14H,7,13H2,1H3/b11-8+
InChIKeyOCGMLGFHZFDPRF-DHZHZOJOSA-N
XLogP1.07
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
N-[(E)-(1-amino-2-cyanoethylidene)amino]-4-methoxybenzamide
CID 10823456
(Z)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enenitrile
CID 69166539
3-(6-methoxynaphthalen-2-yl)but-2-enenitrile
CID 76913798
3-(4-methoxyphenyl)-4-oxobut-3-enenitrile
CID 141421008
[amino-(4-methoxyphenyl)methylidene]azanium;chloride;hydrate
CID 139084678
(3E)-2,5-bis(4-methoxyphenyl)hexa-1,3,5-triene-1,1,6,6-tetracarbonitrile
CID 102136285
(Z)-1-N-[(4-methoxyphenyl)methyl]prop-1-ene-1,2-diamine
CID 144820238
diethyl 2-[[(Z)-2-cyano-2-(4-methoxyphenyl)ethenyl]amino]propanedioate
CID 101342097
methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
CID 163449176
4,5,5-tris(4-methoxyphenyl)pent-4-enenitrile
CID 10340893

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile?
The IUPAC name of 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile (CID 88958814) is 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile.
What is the SMILES notation for 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile?
The canonical SMILES for 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile is COc1ccc(/C(N)=C\NCC#N)cc1.
What is the InChIKey of 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile?
The InChIKey is OCGMLGFHZFDPRF-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-10-4-2-9(3-5-10)11(13)8-14-7-6-12/h2-5,8,14H,7,13H2,1H3/b11-8+.
What are the key properties of 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile?
2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile has a molecular weight of 203.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-amino-2-(4-methoxyphenyl)ethenyl]amino]acetonitrile is sourced from PubChem (CID 88958814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).