1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C16H20N2 — CID 141010489

IUPAC1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCN1CCc2c([nH]c3ccccc23)C1C1CCC1
InChIInChI=1S/C16H20N2/c1-18-10-9-13-12-7-2-3-8-14(12)17-15(13)16(18)11-5-4-6-11/h2-3,7-8,11,16-17H,4-6,9-10H2,1H3
InChIKeyYPTSZPGGBGBABD-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.50
Rot. Bonds1

About 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 141010489) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID141010489
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCN1CCc2c([nH]c3ccccc23)C1C1CCC1
InChIInChI=1S/C16H20N2/c1-18-10-9-13-12-7-2-3-8-14(12)17-15(13)16(18)11-5-4-6-11/h2-3,7-8,11,16-17H,4-6,9-10H2,1H3
InChIKeyYPTSZPGGBGBABD-UHFFFAOYSA-N
XLogP3.50
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
(1R,12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
1-cyclobutyl-2,3,4,9-tetrahydro-1H-carbazole
CID 91153684
(1R,16S,21R)-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8-tetraen-20-one
CID 10125500
methyl 4-(1-cyclohexyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-oxobutanoate
CID 110666295
1-(1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl)ethanol
CID 68817015
2-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-2-ol
CID 10171643
(1R)-2-methyl-1-(6-methyl-2-pyridinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 29002297
1-(2,3-dichlorophenyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 143848673
(1S)-1-[(1S,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]propan-1-ol
CID 24840664
1-[(1R,12bS)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-1-yl]ethanone;ethane
CID 90962597

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 141010489) is 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CN1CCc2c([nH]c3ccccc23)C1C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is YPTSZPGGBGBABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18-10-9-13-12-7-2-3-8-14(12)17-15(13)16(18)11-5-4-6-11/h2-3,7-8,11,16-17H,4-6,9-10H2,1H3.
What are the key properties of 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 240.35 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 141010489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).