(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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Related Compounds

Pyridin-3-ylidene malononitrile
CID 129787803
(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-acetonitrile
CID 5371973
2-(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-succinonitrile
CID 5374302
2-(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-4-methyl-pent-4-enenitrile
CID 5375039
4-Methyl-2-(3,7,11-trimethyl-dodeca-2,4,6,8,10-pentaenylideneamino)-pent-4-enenitrile
CID 5378697
2-(Ethylideneamino)cyclopenta-1,4-diene-1-carbonitrile
CID 59083003
carbanide;2-(2H-pyridin-2-id-3-yl)acetonitrile;vanadium;yttrium
CID 59265029
9H-2-benzazepine-8-carbonitrile
CID 69285983
(2Z)-3-ethyl-N-methylpenta-2,4-dien-1-imine
CID 88441561
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783
(Z,2E)-2-(2-methyliminoethylidene)pent-3-enenitrile
CID 89984254
(2Z,4Z)-3-ethyl-N-methylhexa-2,4-dien-1-imine
CID 90352621

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).