(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine

C15H15N — CID 140590766

IUPAC(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine
SMILESC1=C\C/C=C\N=C(\c2ccccc2)C\C=C/1
InChIInChI=1S/C15H15N/c1-2-4-9-13-16-15(12-8-3-1)14-10-6-5-7-11-14/h1-3,5-11,13H,4,12H2/b2-1-,8-3-,13-9-,16-15+
InChIKeySUHQOADXBKEPLW-JZQDNYRASA-N
MW209.29 g/mol
LogP3.90
Rot. Bonds1

About (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine

(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine (PubChem CID 140590766) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine.

Molecular Properties

Compound Name(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine
PubChem CID140590766
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine
SMILESC1=C\C/C=C\N=C(\c2ccccc2)C\C=C/1
InChIInChI=1S/C15H15N/c1-2-4-9-13-16-15(12-8-3-1)14-10-6-5-7-11-14/h1-3,5-11,13H,4,12H2/b2-1-,8-3-,13-9-,16-15+
InChIKeySUHQOADXBKEPLW-JZQDNYRASA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine?
The IUPAC name of (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine (CID 140590766) is (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine.
What is the SMILES notation for (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine?
The canonical SMILES for (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine is C1=C\C/C=C\N=C(\c2ccccc2)C\C=C/1.
What is the InChIKey of (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine?
The InChIKey is SUHQOADXBKEPLW-JZQDNYRASA-N. The full InChI is InChI=1S/C15H15N/c1-2-4-9-13-16-15(12-8-3-1)14-10-6-5-7-11-14/h1-3,5-11,13H,4,12H2/b2-1-,8-3-,13-9-,16-15+.
What are the key properties of (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine?
(4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine has a molecular weight of 209.29 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,9Z)-2-phenyl-3,8-dihydroazecine is sourced from PubChem (CID 140590766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).