cyclopenta[d][1]benzazepine

C13H9N — CID 90914140

IUPACcyclopenta[d][1]benzazepine
SMILESc1cc2ccnc3ccccc3c-2c1
InChIInChI=1S/C13H9N/c1-2-7-13-12(5-1)11-6-3-4-10(11)8-9-14-13/h1-9H
InChIKeyCQRSCBHCKZFQLA-UHFFFAOYSA-N
MW179.22 g/mol
LogP3.34
Rot. Bonds

About cyclopenta[d][1]benzazepine

cyclopenta[d][1]benzazepine (PubChem CID 90914140) has the molecular formula C13H9N and a molecular weight of 179.22 g/mol. Its IUPAC name is cyclopenta[d][1]benzazepine.

Molecular Properties

Compound Namecyclopenta[d][1]benzazepine
PubChem CID90914140
Molecular FormulaC13H9N
Molecular Weight179.22 g/mol
Exact Mass179.07
IUPAC Namecyclopenta[d][1]benzazepine
SMILESc1cc2ccnc3ccccc3c-2c1
InChIInChI=1S/C13H9N/c1-2-7-13-12(5-1)11-6-3-4-10(11)8-9-14-13/h1-9H
InChIKeyCQRSCBHCKZFQLA-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 175088616
CID 175088616
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
4-(3-fluorophenyl)quinoline
CID 141309372
4-(3-methylphenyl)quinoline
CID 146587179
pyrrolo[3,4-d][1]benzazepine
CID 70490498
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
N-phenyl-4-quinolin-5-ylaniline
CID 118462701
5-[4-(3-methylphenyl)phenyl]quinoline
CID 121316110
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
4-pyrimidin-2-ylquinoline
CID 123157198
2-(4-quinolin-4-ylphenyl)ethanamine
CID 110282335

Frequently Asked Questions

What is the IUPAC name of cyclopenta[d][1]benzazepine?
The IUPAC name of cyclopenta[d][1]benzazepine (CID 90914140) is cyclopenta[d][1]benzazepine.
What is the SMILES notation for cyclopenta[d][1]benzazepine?
The canonical SMILES for cyclopenta[d][1]benzazepine is c1cc2ccnc3ccccc3c-2c1.
What is the InChIKey of cyclopenta[d][1]benzazepine?
The InChIKey is CQRSCBHCKZFQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N/c1-2-7-13-12(5-1)11-6-3-4-10(11)8-9-14-13/h1-9H.
What are the key properties of cyclopenta[d][1]benzazepine?
cyclopenta[d][1]benzazepine has a molecular weight of 179.22 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[d][1]benzazepine is sourced from PubChem (CID 90914140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).