6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol

C12H13NO2 — CID 115022934

IUPAC6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol
SMILESOc1cccc2c1cc1n2CCCC1O
InChIInChI=1S/C12H13NO2/c14-11-4-1-3-9-8(11)7-10-12(15)5-2-6-13(9)10/h1,3-4,7,12,14-15H,2,5-6H2
InChIKeyIBKUNAJOPBPGSH-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.17
Rot. Bonds

About 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol

6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol (PubChem CID 115022934) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol.

Molecular Properties

Compound Name6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol
PubChem CID115022934
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol
SMILESOc1cccc2c1cc1n2CCCC1O
InChIInChI=1S/C12H13NO2/c14-11-4-1-3-9-8(11)7-10-12(15)5-2-6-13(9)10/h1,3-4,7,12,14-15H,2,5-6H2
InChIKeyIBKUNAJOPBPGSH-UHFFFAOYSA-N
XLogP2.17
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
CID 115046881
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 105456213
3-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-ol
CID 115022303
8-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-1-ol
CID 105469892
2-(aminomethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-5-ol
CID 105454422
9-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-ol
CID 105454412
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 15287247
7-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-4-ol
CID 115022614
4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
CID 171064678
3-(2-aminophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117158718
3-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-ol
CID 117152943

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol?
The IUPAC name of 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol (CID 115022934) is 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol.
What is the SMILES notation for 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol?
The canonical SMILES for 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol is Oc1cccc2c1cc1n2CCCC1O.
What is the InChIKey of 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol?
The InChIKey is IBKUNAJOPBPGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-4-1-3-9-8(11)7-10-12(15)5-2-6-13(9)10/h1,3-4,7,12,14-15H,2,5-6H2.
What are the key properties of 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol?
6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol has a molecular weight of 203.24 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol is sourced from PubChem (CID 115022934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).