(E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile

C17H24N2 — CID 144707439

IUPAC(E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile
SMILESC=CC(=C\C(=C/C)CC#N)/C(CCC)=N\C(C)=C/C
InChIInChI=1S/C17H24N2/c1-6-10-17(19-14(5)7-2)16(9-4)13-15(8-3)11-12-18/h7-9,13H,4,6,10-11H2,1-3,5H3/b14-7-,15-8-,16-13+,19-17+
InChIKeyRDLMZFGIDIXFQK-SWYCFOLUSA-N
MW256.39 g/mol
LogP5.12
Rot. Bonds7

About (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile

(E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile (PubChem CID 144707439) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile.

Molecular Properties

Compound Name(E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile
PubChem CID144707439
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile
SMILESC=CC(=C\C(=C/C)CC#N)/C(CCC)=N\C(C)=C/C
InChIInChI=1S/C17H24N2/c1-6-10-17(19-14(5)7-2)16(9-4)13-15(8-3)11-12-18/h7-9,13H,4,6,10-11H2,1-3,5H3/b14-7-,15-8-,16-13+,19-17+
InChIKeyRDLMZFGIDIXFQK-SWYCFOLUSA-N
XLogP5.12
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4E)-3-methylocta-1,2,4-trien-4-yl]propanimidoyl cyanide
CID 91044419
(3E)-3-but-3-enylidene-4,6,9-trimethyl-2,5-diazabicyclo[5.5.0]dodeca-1,4,6,9,11-pentaene
CID 123146075
(4E,8E)-2,5,6,9-tetramethyl-10-[[(Z)-2-methylhex-4-en-3-ylidene]amino]undeca-2,4,6,8,10-pentaenenitrile
CID 123221201
4-ethyl-3H-azepine-2-carbonitrile
CID 123561583
2-(2-hepta-2,4-dien-3-yl-3H-azepin-6-yl)acetonitrile
CID 123782891
(3Z,5E,8E,11Z)-3,6,9-trimethyl-2-methylidene-7-methyliminotetradeca-3,5,8,11-tetraenenitrile
CID 126491160
(2Z,4Z)-2-methyl-3-[C-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]carbonimidoyl]hexa-2,4-dienenitrile
CID 126661668
(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine
CID 131992884
(5E)-N-[(3Z)-3,6-dimethylhepta-1,3,5-trien-2-yl]-5-ethenylhepta-1,5-dien-4-imine
CID 138648661
(5Z,6E)-2,3-bis(ethenyl)-5-ethylidene-6-prop-2-enylidenepyridine-4-carbonitrile;ethane
CID 141804126
(3E,8E,10Z)-3,10-dimethyl-2-azabicyclo[9.4.0]pentadeca-1,3,5,6,8,10-hexaene;ethane
CID 141993314
(E)-4-methyl-2-propan-2-ylidene-5-prop-1-en-2-yliminohex-3-enenitrile;propane
CID 142562020

Frequently Asked Questions

What is the IUPAC name of (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile?
The IUPAC name of (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile (CID 144707439) is (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile.
What is the SMILES notation for (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile?
The canonical SMILES for (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile is C=CC(=C\C(=C/C)CC#N)/C(CCC)=N\C(C)=C/C.
What is the InChIKey of (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile?
The InChIKey is RDLMZFGIDIXFQK-SWYCFOLUSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-10-17(19-14(5)7-2)16(9-4)13-15(8-3)11-12-18/h7-9,13H,4,6,10-11H2,1-3,5H3/b14-7-,15-8-,16-13+,19-17+.
What are the key properties of (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile?
(E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile has a molecular weight of 256.39 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z)-6-[(Z)-but-2-en-2-yl]imino-5-ethenyl-3-ethylidenenon-4-enenitrile is sourced from PubChem (CID 144707439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).