(4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile

C10H12N2 — CID 167289194

IUPAC(4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile
SMILESC=C(C#N)C/C=C\C=C/C=N/C
InChIInChI=1S/C10H12N2/c1-10(9-11)7-5-3-4-6-8-12-2/h3-6,8H,1,7H2,2H3/b5-3-,6-4-,12-8+
InChIKeyDJHAENNIHNLEPM-OVCUOVLLSA-N
MW160.22 g/mol
LogP2.27
Rot. Bonds4

About (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile

(4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile (PubChem CID 167289194) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile.

Molecular Properties

Compound Name(4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile
PubChem CID167289194
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile
SMILESC=C(C#N)C/C=C\C=C/C=N/C
InChIInChI=1S/C10H12N2/c1-10(9-11)7-5-3-4-6-8-12-2/h3-6,8H,1,7H2,2H3/b5-3-,6-4-,12-8+
InChIKeyDJHAENNIHNLEPM-OVCUOVLLSA-N
XLogP2.27
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.27
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 (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile?
The IUPAC name of (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile (CID 167289194) is (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile.
What is the SMILES notation for (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile?
The canonical SMILES for (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile is C=C(C#N)C/C=C\C=C/C=N/C.
What is the InChIKey of (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile?
The InChIKey is DJHAENNIHNLEPM-OVCUOVLLSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(9-11)7-5-3-4-6-8-12-2/h3-6,8H,1,7H2,2H3/b5-3-,6-4-,12-8+.
What are the key properties of (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile?
(4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile has a molecular weight of 160.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2-methylidene-8-methyliminoocta-4,6-dienenitrile is sourced from PubChem (CID 167289194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).