(3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile

C10H12N2 — CID 143502790

IUPAC(3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile
SMILESC=CC(/C=C\C)=C(\N)C(=C)C#N
InChIInChI=1S/C10H12N2/c1-4-6-9(5-2)10(12)8(3)7-11/h4-6H,2-3,12H2,1H3/b6-4-,10-9+
InChIKeyGILQGFXXAGTFGJ-JWUZIXNGSA-N
MW160.22 g/mol
LogP2.04
Rot. Bonds3

About (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile

(3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile (PubChem CID 143502790) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile.

Molecular Properties

Compound Name(3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile
PubChem CID143502790
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile
SMILESC=CC(/C=C\C)=C(\N)C(=C)C#N
InChIInChI=1S/C10H12N2/c1-4-6-9(5-2)10(12)8(3)7-11/h4-6H,2-3,12H2,1H3/b6-4-,10-9+
InChIKeyGILQGFXXAGTFGJ-JWUZIXNGSA-N
XLogP2.04
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile
CID 89148270
(3E,5E)-5-amino-3-fluoro-4-methylocta-3,5,7-trienenitrile
CID 118656976
(3E,5E)-3-amino-5-fluoro-2-methylidenehepta-3,5-dienenitrile
CID 129170407
(3E,5Z)-3-amino-7-fluoro-2-methylideneocta-3,5-dienenitrile
CID 143332835
2-Amino-6-fluoro-7-methylcyclohepta-1,4,6-triene-1-carbonitrile
CID 144192307
(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile
CID 146642451
(3E,5Z)-5-amino-4-fluoro-6-iodo-2-methylidenehepta-3,5-dienenitrile
CID 163707141
(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile
CID 166664510
(Z)-2-[(1E)-2-amino-3-fluorobuta-1,3-dienyl]-3-methylbut-2-enedinitrile
CID 167171480
(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile
CID 167231755
2-(2,3-Diamino-4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile
CID 91541155
Dicyanmethylen-aminoindene
CID 129629934

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile?
The IUPAC name of (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile (CID 143502790) is (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile.
What is the SMILES notation for (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile?
The canonical SMILES for (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile is C=CC(/C=C\C)=C(\N)C(=C)C#N.
What is the InChIKey of (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile?
The InChIKey is GILQGFXXAGTFGJ-JWUZIXNGSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-6-9(5-2)10(12)8(3)7-11/h4-6H,2-3,12H2,1H3/b6-4-,10-9+.
What are the key properties of (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile?
(3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile has a molecular weight of 160.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-amino-4-ethenyl-2-methylidenehepta-3,5-dienenitrile is sourced from PubChem (CID 143502790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).