2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile

C11H10N2 — CID 145486678

IUPAC2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
SMILESC=C/C=C\C(C=C(C#N)C#N)=C/C
InChIInChI=1S/C11H10N2/c1-3-5-6-10(4-2)7-11(8-12)9-13/h3-7H,1H2,2H3/b6-5-,10-4+
InChIKeyQDBSTJGEFFPKCY-QYONPMAVSA-N
MW170.21 g/mol
LogP2.65
Rot. Bonds3

About 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile

2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile (PubChem CID 145486678) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
PubChem CID145486678
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile
SMILESC=C/C=C\C(C=C(C#N)C#N)=C/C
InChIInChI=1S/C11H10N2/c1-3-5-6-10(4-2)7-11(8-12)9-13/h3-7H,1H2,2H3/b6-5-,10-4+
InChIKeyQDBSTJGEFFPKCY-QYONPMAVSA-N
XLogP2.65
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
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

(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
(3Z)-2-propan-2-ylidenehexa-3,5-dienenitrile
CID 142026515
(2E,4E,5Z)-4-ethylideneocta-2,5,7-trienamide
CID 118357992
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane
CID 144946763
buta-1,3-diene;penta-1,3-diene;prop-2-enenitrile
CID 159248921
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 143537599
ethane;(2E,4E,5Z)-4-ethylidene-N-methylocta-2,5,7-trienamide
CID 142901922
(Z,2E)-2-ethylidene-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pent-3-en-1-imine
CID 166663720
(3E)-penta-1,3-diene
CID 71777643
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]ethanimine
CID 129313823

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile?
The IUPAC name of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile (CID 145486678) is 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile.
What is the SMILES notation for 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile?
The canonical SMILES for 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile is C=C/C=C\C(C=C(C#N)C#N)=C/C.
What is the InChIKey of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile?
The InChIKey is QDBSTJGEFFPKCY-QYONPMAVSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-5-6-10(4-2)7-11(8-12)9-13/h3-7H,1H2,2H3/b6-5-,10-4+.
What are the key properties of 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile?
2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile has a molecular weight of 170.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,3Z)-2-ethylidenehexa-3,5-dienylidene]propanedinitrile is sourced from PubChem (CID 145486678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).