1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride

C20H23ClN2O — CID 3053733

IUPAC1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride
SMILESCC(O)(N1C=CCC1)N1Cc2ccccc2Cc2ccccc21.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-20(23,21-12-6-7-13-21)22-15-18-10-3-2-8-16(18)14-17-9-4-5-11-19(17)22;/h2-6,8-12,23H,7,13-15H2,1H3;1H
InChIKeyYCOICJJHTKELHC-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.90
Rot. Bonds2

About 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride

1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride (PubChem CID 3053733) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride
PubChem CID3053733
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride
SMILESCC(O)(N1C=CCC1)N1Cc2ccccc2Cc2ccccc21.Cl
InChIInChI=1S/C20H22N2O.ClH/c1-20(23,21-12-6-7-13-21)22-15-18-10-3-2-8-16(18)14-17-9-4-5-11-19(17)22;/h2-6,8-12,23H,7,13-15H2,1H3;1H
InChIKeyYCOICJJHTKELHC-UHFFFAOYSA-N
XLogP3.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride?
The IUPAC name of 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride (CID 3053733) is 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride is CC(O)(N1C=CCC1)N1Cc2ccccc2Cc2ccccc21.Cl.
What is the InChIKey of 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride?
The InChIKey is YCOICJJHTKELHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH/c1-20(23,21-12-6-7-13-21)22-15-18-10-3-2-8-16(18)14-17-9-4-5-11-19(17)22;/h2-6,8-12,23H,7,13-15H2,1H3;1H.
What are the key properties of 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride?
1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-1-(2,3-dihydropyrrol-1-yl)ethanol;hydrochloride is sourced from PubChem (CID 3053733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).