(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine

C19H21N — CID 139445224

IUPAC(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
SMILESC/C1=C/c2ccccc2N(C(C)C)Cc2ccccc21
InChIInChI=1S/C19H21N/c1-14(2)20-13-17-9-4-6-10-18(17)15(3)12-16-8-5-7-11-19(16)20/h4-12,14H,13H2,1-3H3/b15-12-
InChIKeyCSQXUKHUENWHND-QINSGFPZSA-N
MW263.38 g/mol
LogP4.98
Rot. Bonds1

About (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine

(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine (PubChem CID 139445224) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine.

Molecular Properties

Compound Name(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
PubChem CID139445224
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine
SMILESC/C1=C/c2ccccc2N(C(C)C)Cc2ccccc21
InChIInChI=1S/C19H21N/c1-14(2)20-13-17-9-4-6-10-18(17)15(3)12-16-8-5-7-11-19(16)20/h4-12,14H,13H2,1-3H3/b15-12-
InChIKeyCSQXUKHUENWHND-QINSGFPZSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine?
The IUPAC name of (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine (CID 139445224) is (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine.
What is the SMILES notation for (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine?
The canonical SMILES for (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine is C/C1=C/c2ccccc2N(C(C)C)Cc2ccccc21.
What is the InChIKey of (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine?
The InChIKey is CSQXUKHUENWHND-QINSGFPZSA-N. The full InChI is InChI=1S/C19H21N/c1-14(2)20-13-17-9-4-6-10-18(17)15(3)12-16-8-5-7-11-19(16)20/h4-12,14H,13H2,1-3H3/b15-12-.
What are the key properties of (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine?
(11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine has a molecular weight of 263.38 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-11-methyl-5-propan-2-yl-6H-benzo[c][1]benzazocine is sourced from PubChem (CID 139445224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).