(2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile

C8H10N2 — CID 130441703

IUPAC(2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile
SMILESC=N/C=C(C)\C=C(/C)C#N
InChIInChI=1S/C8H10N2/c1-7(5-9)4-8(2)6-10-3/h4,6H,3H2,1-2H3/b7-4+,8-6-
InChIKeyLBOGTYODRGLZOH-MTCKZIEXSA-N
MW134.18 g/mol
LogP2.06
Rot. Bonds2

About (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile

(2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile (PubChem CID 130441703) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile
PubChem CID130441703
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile
SMILESC=N/C=C(C)\C=C(/C)C#N
InChIInChI=1S/C8H10N2/c1-7(5-9)4-8(2)6-10-3/h4,6H,3H2,1-2H3/b7-4+,8-6-
InChIKeyLBOGTYODRGLZOH-MTCKZIEXSA-N
XLogP2.06
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile (CID 130441703) is (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile is C=N/C=C(C)\C=C(/C)C#N.
What is the InChIKey of (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile?
The InChIKey is LBOGTYODRGLZOH-MTCKZIEXSA-N. The full InChI is InChI=1S/C8H10N2/c1-7(5-9)4-8(2)6-10-3/h4,6H,3H2,1-2H3/b7-4+,8-6-.
What are the key properties of (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile?
(2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile has a molecular weight of 134.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,4-dimethyl-5-(methylideneamino)penta-2,4-dienenitrile is sourced from PubChem (CID 130441703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).