N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide

C10H14N2 — CID 143343942

IUPACN-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide
SMILESC/C=C(/C)C=CC/N=C(\C)C#N
InChIInChI=1S/C10H14N2/c1-4-9(2)6-5-7-12-10(3)8-11/h4-6H,7H2,1-3H3/b6-5?,9-4-,12-10+
InChIKeySXRBYRYKDBDWBL-FNMJXCSRSA-N
MW162.24 g/mol
LogP2.49
Rot. Bonds3

About N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide

N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide (PubChem CID 143343942) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide.

Molecular Properties

Compound NameN-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide
PubChem CID143343942
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide
SMILESC/C=C(/C)C=CC/N=C(\C)C#N
InChIInChI=1S/C10H14N2/c1-4-9(2)6-5-7-12-10(3)8-11/h4-6H,7H2,1-3H3/b6-5?,9-4-,12-10+
InChIKeySXRBYRYKDBDWBL-FNMJXCSRSA-N
XLogP2.49
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.49
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'}

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Related Compounds

6-fluoro-3,7-dimethyl-2H-azepine-5-carbonitrile
CID 144947229
2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
(3Z)-N-ethyl-4-methylhexa-3,5-dien-2-imine
CID 89469233
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
3,7-dimethyl-2H-azepine
CID 118552740
N-(2-methylpropyl)but-2-enimidoyl cyanide
CID 123165582
N-methylpenta-2,4-dienimidoyl cyanide
CID 123260837
(2E)-2-methyl-4-methyliminohexa-2,5-dienenitrile
CID 123676535
4,7-dimethyl-2H-azepine
CID 123748953
(4Z)-6-methyl-3-methyliminohepta-4,6-dienenitrile
CID 132037222
3-[(1Z)-2,4-dimethylpenta-1,3-dienyl]iminobutanenitrile
CID 134372314

Frequently Asked Questions

What is the IUPAC name of N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide?
The IUPAC name of N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide (CID 143343942) is N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide.
What is the SMILES notation for N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide?
The canonical SMILES for N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide is C/C=C(/C)C=CC/N=C(\C)C#N.
What is the InChIKey of N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide?
The InChIKey is SXRBYRYKDBDWBL-FNMJXCSRSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9(2)6-5-7-12-10(3)8-11/h4-6H,7H2,1-3H3/b6-5?,9-4-,12-10+.
What are the key properties of N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide?
N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide has a molecular weight of 162.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z)-4-methylhexa-2,4-dienyl]ethanimidoyl cyanide is sourced from PubChem (CID 143343942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).