(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine

C18H23N — CID 144822377

IUPAC(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine
SMILESC=C/C(=C\CC=CC)C/C(C)=N/c1ccccc1C
InChIInChI=1S/C18H23N/c1-5-7-8-12-17(6-2)14-16(4)19-18-13-10-9-11-15(18)3/h5-7,9-13H,2,8,14H2,1,3-4H3/b7-5?,17-12+,19-16+
InChIKeyHPTUXIVKBSNBJV-BPEJDTCCSA-N
MW253.39 g/mol
LogP5.56
Rot. Bonds6

About (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine

(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine (PubChem CID 144822377) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine.

Molecular Properties

Compound Name(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine
PubChem CID144822377
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine
SMILESC=C/C(=C\CC=CC)C/C(C)=N/c1ccccc1C
InChIInChI=1S/C18H23N/c1-5-7-8-12-17(6-2)14-16(4)19-18-13-10-9-11-15(18)3/h5-7,9-13H,2,8,14H2,1,3-4H3/b7-5?,17-12+,19-16+
InChIKeyHPTUXIVKBSNBJV-BPEJDTCCSA-N
XLogP5.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine?
The IUPAC name of (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine (CID 144822377) is (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine.
What is the SMILES notation for (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine?
The canonical SMILES for (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine is C=C/C(=C\CC=CC)C/C(C)=N/c1ccccc1C.
What is the InChIKey of (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine?
The InChIKey is HPTUXIVKBSNBJV-BPEJDTCCSA-N. The full InChI is InChI=1S/C18H23N/c1-5-7-8-12-17(6-2)14-16(4)19-18-13-10-9-11-15(18)3/h5-7,9-13H,2,8,14H2,1,3-4H3/b7-5?,17-12+,19-16+.
What are the key properties of (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine?
(4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine has a molecular weight of 253.39 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenyl-N-(2-methylphenyl)nona-4,7-dien-2-imine is sourced from PubChem (CID 144822377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).