9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine

C24H37FN2 — CID 166929152

IUPAC9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine
SMILESC=C(F)/C(=C\C=C/C)CCC(C)(C)C1=C2N(CCCC1C)CCN2C(=C)C
InChIInChI=1S/C24H37FN2/c1-8-9-12-21(20(5)25)13-14-24(6,7)22-19(4)11-10-15-26-16-17-27(18(2)3)23(22)26/h8-9,12,19H,2,5,10-11,13-17H2,1,3-4,6-7H3/b9-8-,21-12-
InChIKeyXCZCIQWSDYAWEX-INNVQUECSA-N
MW372.57 g/mol
LogP6.57
Rot. Bonds7

About 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine

9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine (PubChem CID 166929152) has the molecular formula C24H37FN2 and a molecular weight of 372.57 g/mol. Its IUPAC name is 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine.

Molecular Properties

Compound Name9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine
PubChem CID166929152
Molecular FormulaC24H37FN2
Molecular Weight372.57 g/mol
Exact Mass372.29
IUPAC Name9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine
SMILESC=C(F)/C(=C\C=C/C)CCC(C)(C)C1=C2N(CCCC1C)CCN2C(=C)C
InChIInChI=1S/C24H37FN2/c1-8-9-12-21(20(5)25)13-14-24(6,7)22-19(4)11-10-15-26-16-17-27(18(2)3)23(22)26/h8-9,12,19H,2,5,10-11,13-17H2,1,3-4,6-7H3/b9-8-,21-12-
InChIKeyXCZCIQWSDYAWEX-INNVQUECSA-N
XLogP6.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.57
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine?
The IUPAC name of 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine (CID 166929152) is 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine.
What is the SMILES notation for 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine?
The canonical SMILES for 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine is C=C(F)/C(=C\C=C/C)CCC(C)(C)C1=C2N(CCCC1C)CCN2C(=C)C.
What is the InChIKey of 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine?
The InChIKey is XCZCIQWSDYAWEX-INNVQUECSA-N. The full InChI is InChI=1S/C24H37FN2/c1-8-9-12-21(20(5)25)13-14-24(6,7)22-19(4)11-10-15-26-16-17-27(18(2)3)23(22)26/h8-9,12,19H,2,5,10-11,13-17H2,1,3-4,6-7H3/b9-8-,21-12-.
What are the key properties of 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine?
9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine has a molecular weight of 372.57 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5Z,7Z)-5-(1-fluoroethenyl)-2-methylnona-5,7-dien-2-yl]-8-methyl-1-prop-1-en-2-yl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]azepine is sourced from PubChem (CID 166929152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).