5,9-dihydro-4H-pyrido[3,4-b]indole

C11H10N2 — CID 139024388

IUPAC5,9-dihydro-4H-pyrido[3,4-b]indole
SMILESC1=CCc2c3c([nH]c2=C1)=CN=CC3
InChIInChI=1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-2,4,6-7,13H,3,5H2
InChIKeyXZJYXOJFUPTOCG-UHFFFAOYSA-N
MW170.22 g/mol
LogP0.27
Rot. Bonds

About 5,9-dihydro-4H-pyrido[3,4-b]indole

5,9-dihydro-4H-pyrido[3,4-b]indole (PubChem CID 139024388) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 5,9-dihydro-4H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name5,9-dihydro-4H-pyrido[3,4-b]indole
PubChem CID139024388
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name5,9-dihydro-4H-pyrido[3,4-b]indole
SMILESC1=CCc2c3c([nH]c2=C1)=CN=CC3
InChIInChI=1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-2,4,6-7,13H,3,5H2
InChIKeyXZJYXOJFUPTOCG-UHFFFAOYSA-N
XLogP0.27
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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9H-Pyrido[4,3-b]indole
CID 15897929
Dihydropyrroloisoquinoline
CID 66919674
8H-pyrrolo[3,4-f][1,10]phenanthroline
CID 135415051
Pyrrolo[3,4-f]quinoline
CID 135463236
4,5-Dihydropyrroloquinoxaline
CID 138756856
2-(fluoromethyl)-1H-pyrrolo[2,3-h]quinoline
CID 141446873
8-(fluoromethyl)-9H-pyrrolo[3,2-h]quinoline
CID 142393205
Cyclopenta[a][4,7]phenanthroline
CID 129753063
1-Methylidene-5,9-dihydropyrido[4,3-b]indole
CID 136629763
2-(6H-indol-3-yl)ethanimine
CID 11840987

Frequently Asked Questions

What is the IUPAC name of 5,9-dihydro-4H-pyrido[3,4-b]indole?
The IUPAC name of 5,9-dihydro-4H-pyrido[3,4-b]indole (CID 139024388) is 5,9-dihydro-4H-pyrido[3,4-b]indole.
What is the SMILES notation for 5,9-dihydro-4H-pyrido[3,4-b]indole?
The canonical SMILES for 5,9-dihydro-4H-pyrido[3,4-b]indole is C1=CCc2c3c([nH]c2=C1)=CN=CC3.
What is the InChIKey of 5,9-dihydro-4H-pyrido[3,4-b]indole?
The InChIKey is XZJYXOJFUPTOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-2,4,6-7,13H,3,5H2.
What are the key properties of 5,9-dihydro-4H-pyrido[3,4-b]indole?
5,9-dihydro-4H-pyrido[3,4-b]indole has a molecular weight of 170.22 g/mol, XLogP of 0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dihydro-4H-pyrido[3,4-b]indole is sourced from PubChem (CID 139024388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).