1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide

C14H16N2O — CID 140998419

IUPAC1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide
SMILESCC1CCC(C(N)=O)c2c1[nH]c1ccccc21
InChIInChI=1S/C14H16N2O/c1-8-6-7-10(14(15)17)12-9-4-2-3-5-11(9)16-13(8)12/h2-5,8,10,16H,6-7H2,1H3,(H2,15,17)
InChIKeyOPBURONBLDZHGQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.63
Rot. Bonds1

About 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide

1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide (PubChem CID 140998419) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide
PubChem CID140998419
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide
SMILESCC1CCC(C(N)=O)c2c1[nH]c1ccccc21
InChIInChI=1S/C14H16N2O/c1-8-6-7-10(14(15)17)12-9-4-2-3-5-11(9)16-13(8)12/h2-5,8,10,16H,6-7H2,1H3,(H2,15,17)
InChIKeyOPBURONBLDZHGQ-UHFFFAOYSA-N
XLogP2.63
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 66641029
8-azatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6,10(13),14-hexaene-11-carboxamide
CID 168864652
(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 15674747
(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888
(3aR,5R,10cR)-5-methyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 14381905
(3aS,5S,10cS)-5-methyl-2-phenyl-4,5,6,10c-tetrahydro-3aH-pyrrolo[3,4-c]carbazole-1,3-dione
CID 102059616
(4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 9350450
1-[(3,5-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-4-carbohydrazide
CID 140998432
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981
ethyl 1-methyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 25223262
[(2R)-1-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-1-oxopropan-2-yl]urea
CID 94639268
1-(2-phenylmethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 152756855

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide?
The IUPAC name of 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide (CID 140998419) is 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide.
What is the SMILES notation for 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide?
The canonical SMILES for 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide is CC1CCC(C(N)=O)c2c1[nH]c1ccccc21.
What is the InChIKey of 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide?
The InChIKey is OPBURONBLDZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-6-7-10(14(15)17)12-9-4-2-3-5-11(9)16-13(8)12/h2-5,8,10,16H,6-7H2,1H3,(H2,15,17).
What are the key properties of 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide?
1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxamide is sourced from PubChem (CID 140998419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).