pyrrolo[2,3-i][2,4]benzodiazepine

C11H7N3 — CID 172654038

IUPACpyrrolo[2,3-i][2,4]benzodiazepine
SMILESc1ncc2ccc3nccc3c2cn1
InChIInChI=1S/C11H7N3/c1-2-11-9(3-4-14-11)10-6-13-7-12-5-8(1)10/h1-7H
InChIKeyTWKVCYMPUADIAN-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds

About pyrrolo[2,3-i][2,4]benzodiazepine

pyrrolo[2,3-i][2,4]benzodiazepine (PubChem CID 172654038) has the molecular formula C11H7N3 and a molecular weight of 181.20 g/mol. Its IUPAC name is pyrrolo[2,3-i][2,4]benzodiazepine.

Molecular Properties

Compound Namepyrrolo[2,3-i][2,4]benzodiazepine
PubChem CID172654038
Molecular FormulaC11H7N3
Molecular Weight181.20 g/mol
Exact Mass181.06
IUPAC Namepyrrolo[2,3-i][2,4]benzodiazepine
SMILESc1ncc2ccc3nccc3c2cn1
InChIInChI=1S/C11H7N3/c1-2-11-9(3-4-14-11)10-6-13-7-12-5-8(1)10/h1-7H
InChIKeyTWKVCYMPUADIAN-UHFFFAOYSA-N
XLogP2.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-phenanthroline
CID 13064691
2,7-phenanthroline;1,4-xylene
CID 67025193
5-pyrimidin-5-yl-1,6-naphthyridine
CID 163315592
2,9-phenanthroline
CID 23271029
pyrido[4,3-h]quinazoline
CID 118895264
2-methyl-3,7-phenanthroline
CID 129060966
1-quinolin-6-yloxy-2,6-naphthyridine
CID 166359692
5,12-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4,6,8(16),9,11,13-octaene;5,14-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 175392116
pyrido[4,3-d]pyrimidin-5-ylmethanamine
CID 82415563
5-pyrimidin-5-ylisoquinoline
CID 141337488
1,3-dimethyl-2,7-phenanthroline;1,8-dimethyl-2,7-phenanthroline;3,8-dimethyl-2,7-phenanthroline;bis(1-methyl-2,8-phenanthroline);3-methyl-2,7-phenanthroline;8-methyl-2,7-phenanthroline;heptakis(2-methylpropane)
CID 160807594
pyrrolo[3,2-f][1,2]benzoxazine
CID 140592129

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-i][2,4]benzodiazepine?
The IUPAC name of pyrrolo[2,3-i][2,4]benzodiazepine (CID 172654038) is pyrrolo[2,3-i][2,4]benzodiazepine.
What is the SMILES notation for pyrrolo[2,3-i][2,4]benzodiazepine?
The canonical SMILES for pyrrolo[2,3-i][2,4]benzodiazepine is c1ncc2ccc3nccc3c2cn1.
What is the InChIKey of pyrrolo[2,3-i][2,4]benzodiazepine?
The InChIKey is TWKVCYMPUADIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3/c1-2-11-9(3-4-14-11)10-6-13-7-12-5-8(1)10/h1-7H.
What are the key properties of pyrrolo[2,3-i][2,4]benzodiazepine?
pyrrolo[2,3-i][2,4]benzodiazepine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-i][2,4]benzodiazepine is sourced from PubChem (CID 172654038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).