(11Z)-6-methoxybenzo[c][1]benzazocine

C16H13NO — CID 5382269

IUPAC(11Z)-6-methoxybenzo[c][1]benzazocine
SMILESCO/C1=N/c2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C16H13NO/c1-18-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17-16/h2-11H,1H3/b11-10-,12-10-,13-11-,16-14+,17-15-,17-16+
InChIKeyCISBQNNKFRIIDE-UARLNGBASA-N
MW235.29 g/mol
LogP3.90
Rot. Bonds

About (11Z)-6-methoxybenzo[c][1]benzazocine

(11Z)-6-methoxybenzo[c][1]benzazocine (PubChem CID 5382269) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (11Z)-6-methoxybenzo[c][1]benzazocine.

Molecular Properties

Compound Name(11Z)-6-methoxybenzo[c][1]benzazocine
PubChem CID5382269
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(11Z)-6-methoxybenzo[c][1]benzazocine
SMILESCO/C1=N/c2ccccc2/C=C\c2ccccc21
InChIInChI=1S/C16H13NO/c1-18-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17-16/h2-11H,1H3/b11-10-,12-10-,13-11-,16-14+,17-15-,17-16+
InChIKeyCISBQNNKFRIIDE-UARLNGBASA-N
XLogP3.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[6-[2-(dimethylamino)ethoxy]benzo[c][1]benzazepin-11-ylidene]acetonitrile
CID 44298878
(2E)-2-[6-[3-(dimethylamino)propoxy]benzo[c][1]benzazepin-11-ylidene]acetonitrile
CID 44299056
(4S)-4-fluoro-4,8-dimethyl-2-phenyl-5H-3,1-benzoxazepine
CID 132596947
(4S)-4-fluoro-4,7-dimethyl-2-phenyl-5H-3,1-benzoxazepine
CID 132596948
(4S)-4-fluoro-4-methyl-2-phenyl-5H-3,1-benzoxazepine
CID 132596950
(4R)-4-fluoro-2-phenyl-4-propan-2-yl-5H-3,1-benzoxazepine
CID 132596957
(4S)-4,7-difluoro-4-methyl-2-phenyl-5H-3,1-benzoxazepine
CID 154715023
(4S)-4-ethyl-4-fluoro-2-phenyl-5H-3,1-benzoxazepine
CID 154715024
(4R)-4-tert-butyl-4-fluoro-2-phenyl-5H-3,1-benzoxazepine
CID 154715474
ethyl N-phenylbenzenecarboximidate
CID 290892
4,4-dimethyl-2-phenyl-4H-3,1-benzoxazine
CID 341774
2-Methyl-4H-3,1-benzoxazine
CID 10725495

Frequently Asked Questions

What is the IUPAC name of (11Z)-6-methoxybenzo[c][1]benzazocine?
The IUPAC name of (11Z)-6-methoxybenzo[c][1]benzazocine (CID 5382269) is (11Z)-6-methoxybenzo[c][1]benzazocine.
What is the SMILES notation for (11Z)-6-methoxybenzo[c][1]benzazocine?
The canonical SMILES for (11Z)-6-methoxybenzo[c][1]benzazocine is CO/C1=N/c2ccccc2/C=C\c2ccccc21.
What is the InChIKey of (11Z)-6-methoxybenzo[c][1]benzazocine?
The InChIKey is CISBQNNKFRIIDE-UARLNGBASA-N. The full InChI is InChI=1S/C16H13NO/c1-18-16-14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17-16/h2-11H,1H3/b11-10-,12-10-,13-11-,16-14+,17-15-,17-16+.
What are the key properties of (11Z)-6-methoxybenzo[c][1]benzazocine?
(11Z)-6-methoxybenzo[c][1]benzazocine has a molecular weight of 235.29 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-6-methoxybenzo[c][1]benzazocine is sourced from PubChem (CID 5382269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).