(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile

C8H10N2 — CID 138661706

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

About (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile

(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile (PubChem CID 138661706) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile
PubChem CID138661706
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile
SMILESC=N/C(C#N)=C\C(C)=C/C
InChIInChI=1S/C8H10N2/c1-4-7(2)5-8(6-9)10-3/h4-5H,3H2,1-2H3/b7-4-,8-5-
InChIKeyVCBTWHSESQVKFR-IUNAMMOKSA-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 (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile?
The IUPAC name of (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile (CID 138661706) is (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile.
What is the SMILES notation for (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile?
The canonical SMILES for (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile is C=N/C(C#N)=C\C(C)=C/C.
What is the InChIKey of (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile?
The InChIKey is VCBTWHSESQVKFR-IUNAMMOKSA-N. The full InChI is InChI=1S/C8H10N2/c1-4-7(2)5-8(6-9)10-3/h4-5H,3H2,1-2H3/b7-4-,8-5-.
What are the key properties of (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile?
(2Z,4Z)-4-methyl-2-(methylideneamino)hexa-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 (2Z,4Z)-4-methyl-2-(methylideneamino)hexa-2,4-dienenitrile is sourced from PubChem (CID 138661706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).