N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide

C9H12N2 — CID 163883594

IUPACN-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide
SMILESC/C=C\C=C(C)/N=C(\C)C#N
InChIInChI=1S/C9H12N2/c1-4-5-6-8(2)11-9(3)7-10/h4-6H,1-3H3/b5-4-,8-6-,11-9+
InChIKeyPVKPRNVXWQYSTO-PRHDDDSVSA-N
MW148.21 g/mol
LogP2.45
Rot. Bonds2

About N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide

N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide (PubChem CID 163883594) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide.

Molecular Properties

Compound NameN-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide
PubChem CID163883594
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide
SMILESC/C=C\C=C(C)/N=C(\C)C#N
InChIInChI=1S/C9H12N2/c1-4-5-6-8(2)11-9(3)7-10/h4-6H,1-3H3/b5-4-,8-6-,11-9+
InChIKeyPVKPRNVXWQYSTO-PRHDDDSVSA-N
XLogP2.45
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-2-[(Z)-prop-1-enyl]hexa-2,4-dienenitrile
CID 89217494
(2Z,4E)-2-bromohexa-2,4-dienenitrile
CID 24851488
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(2E,4Z)-2-propan-2-ylhexa-2,4-dienenitrile
CID 147215892
(2Z,4Z)-2-(fluoromethyl)hexa-2,4-dienenitrile
CID 146551316
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
(2E,4Z)-N,N-dimethylhexa-2,4-dien-2-amine
CID 59881286
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532
N-(iodoiminomethyl)ethanimidoyl cyanide
CID 160664866
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide?
The IUPAC name of N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide (CID 163883594) is N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide.
What is the SMILES notation for N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide?
The canonical SMILES for N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide is C/C=C\C=C(C)/N=C(\C)C#N.
What is the InChIKey of N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide?
The InChIKey is PVKPRNVXWQYSTO-PRHDDDSVSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-6-8(2)11-9(3)7-10/h4-6H,1-3H3/b5-4-,8-6-,11-9+.
What are the key properties of N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide?
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide has a molecular weight of 148.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-hexa-2,4-dien-2-yl]ethanimidoyl cyanide is sourced from PubChem (CID 163883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).