1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol

C14H18N2O — CID 11770275

IUPAC1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol
SMILESCC1c2c(c3cc(O)ccc3n2C)CCN1C
InChIInChI=1S/C14H18N2O/c1-9-14-11(6-7-15(9)2)12-8-10(17)4-5-13(12)16(14)3/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyBRMRCOJZNYPVQA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.43
Rot. Bonds

About 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol

1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol (PubChem CID 11770275) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol
PubChem CID11770275
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol
SMILESCC1c2c(c3cc(O)ccc3n2C)CCN1C
InChIInChI=1S/C14H18N2O/c1-9-14-11(6-7-15(9)2)12-8-10(17)4-5-13(12)16(14)3/h4-5,8-9,17H,6-7H2,1-3H3
InChIKeyBRMRCOJZNYPVQA-UHFFFAOYSA-N
XLogP2.43
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol?
The IUPAC name of 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol (CID 11770275) is 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol is CC1c2c(c3cc(O)ccc3n2C)CCN1C.
What is the InChIKey of 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol?
The InChIKey is BRMRCOJZNYPVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-14-11(6-7-15(9)2)12-8-10(17)4-5-13(12)16(14)3/h4-5,8-9,17H,6-7H2,1-3H3.
What are the key properties of 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol?
1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol has a molecular weight of 230.31 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 11770275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).