[(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium

C9H15N2O+ — CID 155571589

IUPAC[(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium
SMILESCO[NH2+]/C(C)=C\C=C(\C)CC#N
InChIInChI=1S/C9H14N2O/c1-8(6-7-10)4-5-9(2)11-12-3/h4-5,11H,6H2,1-3H3/p+1/b8-4-,9-5-
InChIKeyZDENYWPRXYJWSY-XEQVNJCQSA-O
MW167.23 g/mol
LogP0.87
Rot. Bonds4

About [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium

[(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium (PubChem CID 155571589) has the molecular formula C9H15N2O+ and a molecular weight of 167.23 g/mol. Its IUPAC name is [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium.

Molecular Properties

Compound Name[(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium
PubChem CID155571589
Molecular FormulaC9H15N2O+
Molecular Weight167.23 g/mol
Exact Mass167.12
IUPAC Name[(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium
SMILESCO[NH2+]/C(C)=C\C=C(\C)CC#N
InChIInChI=1S/C9H14N2O/c1-8(6-7-10)4-5-9(2)11-12-3/h4-5,11H,6H2,1-3H3/p+1/b8-4-,9-5-
InChIKeyZDENYWPRXYJWSY-XEQVNJCQSA-O
XLogP0.87
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium?
The IUPAC name of [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium (CID 155571589) is [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium.
What is the SMILES notation for [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium?
The canonical SMILES for [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium is CO[NH2+]/C(C)=C\C=C(\C)CC#N.
What is the InChIKey of [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium?
The InChIKey is ZDENYWPRXYJWSY-XEQVNJCQSA-O. The full InChI is InChI=1S/C9H14N2O/c1-8(6-7-10)4-5-9(2)11-12-3/h4-5,11H,6H2,1-3H3/p+1/b8-4-,9-5-.
What are the key properties of [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium?
[(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium has a molecular weight of 167.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-6-cyano-5-methylhexa-2,4-dien-2-yl]-methoxyazanium is sourced from PubChem (CID 155571589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).