1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol

C12H12N2O — CID 3565

IUPAC1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
SMILESCC1=NCCc2c1[nH]c1cc(O)ccc21
InChIInChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
InChIKeyRHVPEFQDYMMNSY-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.24
Rot. Bonds

About 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol

1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol (PubChem CID 3565) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol.

Molecular Properties

Compound Name1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
PubChem CID3565
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol
SMILESCC1=NCCc2c1[nH]c1cc(O)ccc21
InChIInChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
InChIKeyRHVPEFQDYMMNSY-UHFFFAOYSA-N
XLogP2.24
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol?
The IUPAC name of 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol (CID 3565) is 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol.
What is the SMILES notation for 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol?
The canonical SMILES for 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol is CC1=NCCc2c1[nH]c1cc(O)ccc21.
What is the InChIKey of 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol?
The InChIKey is RHVPEFQDYMMNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3.
What are the key properties of 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol?
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol has a molecular weight of 200.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol is sourced from PubChem (CID 3565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).