cyclopenta[i][1,2]benzodiazepine

C12H8N2 — CID 150279763

IUPACcyclopenta[i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1cccc12
InChIInChI=1S/C12H8N2/c1-3-9-6-7-10-4-2-8-13-14-12(10)11(9)5-1/h1-8H
InChIKeyGFIFHCOMAJAGIY-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.78
Rot. Bonds

About cyclopenta[i][1,2]benzodiazepine

cyclopenta[i][1,2]benzodiazepine (PubChem CID 150279763) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is cyclopenta[i][1,2]benzodiazepine.

Molecular Properties

Compound Namecyclopenta[i][1,2]benzodiazepine
PubChem CID150279763
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Namecyclopenta[i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1cccc12
InChIInChI=1S/C12H8N2/c1-3-9-6-7-10-4-2-8-13-14-12(10)11(9)5-1/h1-8H
InChIKeyGFIFHCOMAJAGIY-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

isoindolo[4,5-i][1,2]benzodiazepine
CID 154190372
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
benzo[h]cinnolin-2-ium
CID 173179185
cinnolin-8-ol;ethane
CID 136607752
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
2-cinnolin-8-ylethanamine
CID 68501199
naphthalen-1-ol;pyridazine
CID 67795055
3-(6-pyridazin-3-yl-2-pyridinyl)pyridazine
CID 6417966
2,13-diazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 9184
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400

Frequently Asked Questions

What is the IUPAC name of cyclopenta[i][1,2]benzodiazepine?
The IUPAC name of cyclopenta[i][1,2]benzodiazepine (CID 150279763) is cyclopenta[i][1,2]benzodiazepine.
What is the SMILES notation for cyclopenta[i][1,2]benzodiazepine?
The canonical SMILES for cyclopenta[i][1,2]benzodiazepine is c1cnnc2c(c1)ccc1cccc12.
What is the InChIKey of cyclopenta[i][1,2]benzodiazepine?
The InChIKey is GFIFHCOMAJAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-3-9-6-7-10-4-2-8-13-14-12(10)11(9)5-1/h1-8H.
What are the key properties of cyclopenta[i][1,2]benzodiazepine?
cyclopenta[i][1,2]benzodiazepine has a molecular weight of 180.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[i][1,2]benzodiazepine is sourced from PubChem (CID 150279763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).