9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol

C12H14N2O — CID 83881219

IUPAC9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
SMILESCn1c2c(c3cc(O)ccc31)CCNC2
InChIInChI=1S/C12H14N2O/c1-14-11-3-2-8(15)6-10(11)9-4-5-13-7-12(9)14/h2-3,6,13,15H,4-5,7H2,1H3
InChIKeyBWXCQRLVKYJFBM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.53
Rot. Bonds

About 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol

9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol (PubChem CID 83881219) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
PubChem CID83881219
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
SMILESCn1c2c(c3cc(O)ccc31)CCNC2
InChIInChI=1S/C12H14N2O/c1-14-11-3-2-8(15)6-10(11)9-4-5-13-7-12(9)14/h2-3,6,13,15H,4-5,7H2,1H3
InChIKeyBWXCQRLVKYJFBM-UHFFFAOYSA-N
XLogP1.53
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol?
The IUPAC name of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol (CID 83881219) is 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol?
The canonical SMILES for 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol is Cn1c2c(c3cc(O)ccc31)CCNC2.
What is the InChIKey of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol?
The InChIKey is BWXCQRLVKYJFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-14-11-3-2-8(15)6-10(11)9-4-5-13-7-12(9)14/h2-3,6,13,15H,4-5,7H2,1H3.
What are the key properties of 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol?
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol has a molecular weight of 202.26 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 83881219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).