(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine

C9H13NO — CID 143458330

IUPAC(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine
SMILES[H]/N=C/C=C\C(=C\OC)C(=C)C
InChIInChI=1S/C9H13NO/c1-8(2)9(7-11-3)5-4-6-10/h4-7,10H,1H2,2-3H3/b5-4-,9-7-,10-6+
InChIKeyVHQABOOHTBJBAU-KYRMVQERSA-N
MW151.21 g/mol
LogP2.30
Rot. Bonds4

About (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine

(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine (PubChem CID 143458330) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine
PubChem CID143458330
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine
SMILES[H]/N=C/C=C\C(=C\OC)C(=C)C
InChIInChI=1S/C9H13NO/c1-8(2)9(7-11-3)5-4-6-10/h4-7,10H,1H2,2-3H3/b5-4-,9-7-,10-6+
InChIKeyVHQABOOHTBJBAU-KYRMVQERSA-N
XLogP2.30
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine?
The IUPAC name of (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine (CID 143458330) is (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine?
The canonical SMILES for (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine is [H]/N=C/C=C\C(=C\OC)C(=C)C.
What is the InChIKey of (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine?
The InChIKey is VHQABOOHTBJBAU-KYRMVQERSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(2)9(7-11-3)5-4-6-10/h4-7,10H,1H2,2-3H3/b5-4-,9-7-,10-6+.
What are the key properties of (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine?
(2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine has a molecular weight of 151.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-(methoxymethylidene)-5-methylhexa-2,5-dien-1-imine is sourced from PubChem (CID 143458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).