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

C13H16N2O — CID 45097462

IUPAC1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
SMILESCC1c2[nH]c3ccc(O)cc3c2CCN1C
InChIInChI=1S/C13H16N2O/c1-8-13-10(5-6-15(8)2)11-7-9(16)3-4-12(11)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKeyDHKNXMXSWDQULD-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.42
Rot. Bonds

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

1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol (PubChem CID 45097462) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol.

Molecular Properties

Compound Name1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
PubChem CID45097462
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
SMILESCC1c2[nH]c3ccc(O)cc3c2CCN1C
InChIInChI=1S/C13H16N2O/c1-8-13-10(5-6-15(8)2)11-7-9(16)3-4-12(11)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3
InChIKeyDHKNXMXSWDQULD-UHFFFAOYSA-N
XLogP2.42
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.42
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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Related Compounds

6-chloro-1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 66911739
2-methyl-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
CID 145496012
1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol
CID 11770275
(3-phenylphenyl) 6-hydroxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 71519501
(1R,15S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 70800104
(1R,15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 69029446
methyl (2S,3S,4R,5S)-5,16-dihydroxy-4-methyl-10,20-diazapentacyclo[11.7.0.02,10.03,7.014,19]icosa-1(13),8,14(19),15,17-pentaene-8-carboxylate
CID 138502071
(2,6-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82391010
17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
CID 90248602
1-(6-chloro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)cyclopentane-1-carboxylic acid
CID 18317970
(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82386113
7-hydroxy-21-methyl-17-nitro-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15(20),16,18-heptaen-14-one
CID 178153750

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The IUPAC name of 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol (CID 45097462) is 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol.
What is the SMILES notation for 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The canonical SMILES for 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol is CC1c2[nH]c3ccc(O)cc3c2CCN1C.
What is the InChIKey of 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
The InChIKey is DHKNXMXSWDQULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-13-10(5-6-15(8)2)11-7-9(16)3-4-12(11)14-13/h3-4,7-8,14,16H,5-6H2,1-2H3.
What are the key properties of 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol?
1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol has a molecular weight of 216.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol is sourced from PubChem (CID 45097462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).