(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile

C9H11N — CID 89217494

IUPAC(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
SMILESC/C=C\C(C#N)=C/C=C/C
InChIInChI=1S/C9H11N/c1-3-5-7-9(8-10)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,9-7+
InChIKeyUNOFGRJEDWKJTC-ZIPWMNKMSA-N
MW133.19 g/mol
LogP2.59
Rot. Bonds2

About (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile

(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile (PubChem CID 89217494) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
PubChem CID89217494
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
SMILESC/C=C\C(C#N)=C/C=C/C
InChIInChI=1S/C9H11N/c1-3-5-7-9(8-10)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,9-7+
InChIKeyUNOFGRJEDWKJTC-ZIPWMNKMSA-N
XLogP2.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.59
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

ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 143537599
(2Z,4E)-2-bromohexa-2,4-dienenitrile
CID 24851488
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide
CID 163883594
(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
CID 147215892
(E,2Z)-2-[[(1S)-2,2-dimethylcyclopropyl]methylidene]pent-3-enenitrile
CID 88897301
(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
CID 146551316
(2Z,4E,6E)-octa-2,4,6-trien-4-amine
CID 89113450
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(2Z,6E,8E,10E)-4,8-bis[(Z)-prop-1-enyl]dodeca-2,4,6,8,10-pentaene
CID 145128728
(2Z,4E,6Z)-4-methylsulfanylocta-2,4,6-triene
CID 126714588
cis-(1R,3R)-3-(2-cyanopenta-1,3-dienyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 123803802
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile?
The IUPAC name of (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile (CID 89217494) is (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile is C/C=C\C(C#N)=C/C=C/C.
What is the InChIKey of (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile?
The InChIKey is UNOFGRJEDWKJTC-ZIPWMNKMSA-N. The full InChI is InChI=1S/C9H11N/c1-3-5-7-9(8-10)6-4-2/h3-7H,1-2H3/b5-3+,6-4-,9-7+.
What are the key properties of (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile?
(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile has a molecular weight of 133.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile is sourced from PubChem (CID 89217494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).