pyrrolo[3,4-d][1]benzazepine

C12H8N2 — CID 70490498

IUPACpyrrolo[3,4-d][1]benzazepine
SMILESc1ccc2c3cncc-3ccnc2c1
InChIInChI=1S/C12H8N2/c1-2-4-12-10(3-1)11-8-13-7-9(11)5-6-14-12/h1-8H
InChIKeyUCCLTBMPXRBAPX-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.73
Rot. Bonds

About pyrrolo[3,4-d][1]benzazepine

pyrrolo[3,4-d][1]benzazepine (PubChem CID 70490498) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is pyrrolo[3,4-d][1]benzazepine.

Molecular Properties

Compound Namepyrrolo[3,4-d][1]benzazepine
PubChem CID70490498
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Namepyrrolo[3,4-d][1]benzazepine
SMILESc1ccc2c3cncc-3ccnc2c1
InChIInChI=1S/C12H8N2/c1-2-4-12-10(3-1)11-8-13-7-9(11)5-6-14-12/h1-8H
InChIKeyUCCLTBMPXRBAPX-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopenta[d][1]benzazepine
CID 90914140
4-(1H-imidazol-5-yl)quinoline
CID 11063321
4-pyrimidin-2-ylquinoline
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4-[2-(4-methoxy-3-pyridinyl)-4-pyridinyl]quinoline
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4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
4-naphthalen-2-ylquinoline
CID 14173372
CID 175088616
CID 175088616
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
4-(1,7-naphthyridin-5-yl)benzonitrile
CID 174888795
4-(3-methylphenyl)quinoline
CID 146587179
4-(3-fluorophenyl)quinoline
CID 141309372

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-d][1]benzazepine?
The IUPAC name of pyrrolo[3,4-d][1]benzazepine (CID 70490498) is pyrrolo[3,4-d][1]benzazepine.
What is the SMILES notation for pyrrolo[3,4-d][1]benzazepine?
The canonical SMILES for pyrrolo[3,4-d][1]benzazepine is c1ccc2c3cncc-3ccnc2c1.
What is the InChIKey of pyrrolo[3,4-d][1]benzazepine?
The InChIKey is UCCLTBMPXRBAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-2-4-12-10(3-1)11-8-13-7-9(11)5-6-14-12/h1-8H.
What are the key properties of pyrrolo[3,4-d][1]benzazepine?
pyrrolo[3,4-d][1]benzazepine has a molecular weight of 180.21 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-d][1]benzazepine is sourced from PubChem (CID 70490498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).