pyrrolo[3,4-b]indole;hydrate

C10H8N2O — CID 69194847

IUPACpyrrolo[3,4-b]indole;hydrate
SMILESC1=NC=C2N=c3ccccc3=C12.O
InChIInChI=1S/C10H6N2.H2O/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;/h1-6H;1H2
InChIKeyBNLHFGQTFMQYJW-UHFFFAOYSA-N
MW172.19 g/mol
LogP-0.43
Rot. Bonds

About pyrrolo[3,4-b]indole;hydrate

pyrrolo[3,4-b]indole;hydrate (PubChem CID 69194847) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is pyrrolo[3,4-b]indole;hydrate.

Molecular Properties

Compound Namepyrrolo[3,4-b]indole;hydrate
PubChem CID69194847
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Namepyrrolo[3,4-b]indole;hydrate
SMILESC1=NC=C2N=c3ccccc3=C12.O
InChIInChI=1S/C10H6N2.H2O/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;/h1-6H;1H2
InChIKeyBNLHFGQTFMQYJW-UHFFFAOYSA-N
XLogP-0.43
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze pyrrolo[3,4-b]indole;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,10,23,25-tetrazapentacyclo[24.4.0.02,7.011,16.017,22]triaconta-1,3,5,7,10,12,14,16,18,20,22,25,27,29-tetradecaene-9,24-dithione
CID 85284439
(4aZ,6E,10aZ,12E)-6,12-dichlorobenzo[c][1,5]benzodiazocine
CID 15961548
1H-pyrido[4,3-b]indole;hydrochloride
CID 21499446
1,1-dimethylpyrido[4,3-b]indole
CID 141391468
3-methyl-2-methylideneindole
CID 91485891
3-methyl-3,4-dihydrocarbazol-2-one
CID 174479793
6H-benzo[a]carbazole
CID 141017182
3H-pyrazino[2,3-b]indole
CID 67851473
(4aZ,6E,10aZ,12Z)-6-chlorobenzo[c][1]benzazocine
CID 25035203
3-methoxyindol-2-one
CID 141311287
iron(2+);2,10,18,26-tetrazapentacyclo[26.4.0.04,9.012,17.020,25]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 50911488
1-benzothiophene;pyrrolo[3,2-a]carbazole
CID 175254659

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-b]indole;hydrate?
The IUPAC name of pyrrolo[3,4-b]indole;hydrate (CID 69194847) is pyrrolo[3,4-b]indole;hydrate.
What is the SMILES notation for pyrrolo[3,4-b]indole;hydrate?
The canonical SMILES for pyrrolo[3,4-b]indole;hydrate is C1=NC=C2N=c3ccccc3=C12.O.
What is the InChIKey of pyrrolo[3,4-b]indole;hydrate?
The InChIKey is BNLHFGQTFMQYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2.H2O/c1-2-4-9-7(3-1)8-5-11-6-10(8)12-9;/h1-6H;1H2.
What are the key properties of pyrrolo[3,4-b]indole;hydrate?
pyrrolo[3,4-b]indole;hydrate has a molecular weight of 172.19 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-b]indole;hydrate is sourced from PubChem (CID 69194847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).