(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine

C17H17N — CID 156683300

IUPAC(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine
SMILES[H]/N=C/C=c1/cccc/c1=C(/C)c1cccc(C)c1
InChIInChI=1S/C17H17N/c1-13-6-5-8-16(12-13)14(2)17-9-4-3-7-15(17)10-11-18/h3-12,18H,1-2H3/b15-10-,17-14+,18-11+
InChIKeyJOYHNVHLMWFXSA-ZGYONMQRSA-N
MW235.33 g/mol
LogP2.64
Rot. Bonds2

About (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine

(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine (PubChem CID 156683300) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine.

Molecular Properties

Compound Name(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine
PubChem CID156683300
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine
SMILES[H]/N=C/C=c1/cccc/c1=C(/C)c1cccc(C)c1
InChIInChI=1S/C17H17N/c1-13-6-5-8-16(12-13)14(2)17-9-4-3-7-15(17)10-11-18/h3-12,18H,1-2H3/b15-10-,17-14+,18-11+
InChIKeyJOYHNVHLMWFXSA-ZGYONMQRSA-N
XLogP2.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine?
The IUPAC name of (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine (CID 156683300) is (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine.
What is the SMILES notation for (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine?
The canonical SMILES for (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine is [H]/N=C/C=c1/cccc/c1=C(/C)c1cccc(C)c1.
What is the InChIKey of (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine?
The InChIKey is JOYHNVHLMWFXSA-ZGYONMQRSA-N. The full InChI is InChI=1S/C17H17N/c1-13-6-5-8-16(12-13)14(2)17-9-4-3-7-15(17)10-11-18/h3-12,18H,1-2H3/b15-10-,17-14+,18-11+.
What are the key properties of (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine?
(2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine has a molecular weight of 235.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(6E)-6-[1-(3-methylphenyl)ethylidene]cyclohexa-2,4-dien-1-ylidene]ethanimine is sourced from PubChem (CID 156683300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).