2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole

C12H12N2O — CID 71436394

IUPAC2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
SMILESCC1=C2N=c3ccccc3=C2CCN1O
InChIInChI=1S/C12H12N2O/c1-8-12-10(6-7-14(8)15)9-4-2-3-5-11(9)13-12/h2-5,15H,6-7H2,1H3
InChIKeyRSLXQTVGAKLTQX-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.80
Rot. Bonds

About 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole

2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole (PubChem CID 71436394) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole.

Molecular Properties

Compound Name2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
PubChem CID71436394
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole
SMILESCC1=C2N=c3ccccc3=C2CCN1O
InChIInChI=1S/C12H12N2O/c1-8-12-10(6-7-14(8)15)9-4-2-3-5-11(9)13-12/h2-5,15H,6-7H2,1H3
InChIKeyRSLXQTVGAKLTQX-UHFFFAOYSA-N
XLogP0.80
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
The IUPAC name of 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole (CID 71436394) is 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole.
What is the SMILES notation for 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
The canonical SMILES for 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole is CC1=C2N=c3ccccc3=C2CCN1O.
What is the InChIKey of 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
The InChIKey is RSLXQTVGAKLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-12-10(6-7-14(8)15)9-4-2-3-5-11(9)13-12/h2-5,15H,6-7H2,1H3.
What are the key properties of 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole?
2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole has a molecular weight of 200.24 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-3,4-dihydropyrido[3,4-b]indole is sourced from PubChem (CID 71436394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).