(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile

C9H13N — CID 147215892

IUPAC(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
SMILESC/C=C\C=C(\C#N)C(C)C
InChIInChI=1S/C9H13N/c1-4-5-6-9(7-10)8(2)3/h4-6,8H,1-3H3/b5-4-,9-6-
InChIKeyCGCMQHRDXYEZBX-WXOLFVLTSA-N
MW135.21 g/mol
LogP2.67
Rot. Bonds2

About (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile

(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile (PubChem CID 147215892) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
PubChem CID147215892
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
SMILESC/C=C\C=C(\C#N)C(C)C
InChIInChI=1S/C9H13N/c1-4-5-6-9(7-10)8(2)3/h4-6,8H,1-3H3/b5-4-,9-6-
InChIKeyCGCMQHRDXYEZBX-WXOLFVLTSA-N
XLogP2.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(E)-2-propan-2-ylbut-2-enenitrile
CID 145155046
(2Z,4E)-2-bromohexa-2,4-dienenitrile
CID 24851488
(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
CID 89217494
(2E)-2-[(2,2-dimethylcyclopropyl)methylidene]-3-methylbutanenitrile
CID 89273892
(2Z,4E)-5,9-dimethyl-2-propan-2-yldeca-2,4,8-trienenitrile
CID 11830898
[(2Z,4E)-6,7-dimethylnona-2,4-dien-5-yl] cyanate
CID 139442716
(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
CID 146551316
(2E)-2-(1-aminoethyl)-5-methylhexa-2,4-dienenitrile
CID 129033463
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide
CID 163883594
2-[(4-bromophenyl)methylidene]-3-methylbutanenitrile
CID 69255455
O-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]hydroxylamine
CID 146533192
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile (CID 147215892) is (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile is C/C=C\C=C(\C#N)C(C)C.
What is the InChIKey of (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile?
The InChIKey is CGCMQHRDXYEZBX-WXOLFVLTSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-6-9(7-10)8(2)3/h4-6,8H,1-3H3/b5-4-,9-6-.
What are the key properties of (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile?
(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile has a molecular weight of 135.21 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile is sourced from PubChem (CID 147215892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).