7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

C19H25NO2 — CID 175402071

IUPAC7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESCCCCCCC1CCc2c([nH]c3c(C(=O)O)cccc23)C1
InChIInChI=1S/C19H25NO2/c1-2-3-4-5-7-13-10-11-14-15-8-6-9-16(19(21)22)18(15)20-17(14)12-13/h6,8-9,13,20H,2-5,7,10-12H2,1H3,(H,21,22)
InChIKeyPIFDBXJALVQBMR-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.94
Rot. Bonds6

About 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid

7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (PubChem CID 175402071) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
PubChem CID175402071
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
SMILESCCCCCCC1CCc2c([nH]c3c(C(=O)O)cccc23)C1
InChIInChI=1S/C19H25NO2/c1-2-3-4-5-7-13-10-11-14-15-8-6-9-16(19(21)22)18(15)20-17(14)12-13/h6,8-9,13,20H,2-5,7,10-12H2,1H3,(H,21,22)
InChIKeyPIFDBXJALVQBMR-UHFFFAOYSA-N
XLogP4.94
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-hexyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid
CID 175872630
(2S)-2-undecyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 70486415
2-[[(7S)-7-undecyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 144530116
6-decyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 139896307
5-[(6-carboxy-2-pyridinyl)methyl]-7-hexyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 162532239
2-methylbenzene-1,3-dicarboxylic acid;tridecane
CID 161399193
9,10-dioctoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
CID 153323148
9,10-dimethoxy-2-pentyl-1,2,3,4-tetrahydroanthracene
CID 153323217
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
1-(5,6,7,8,9,10,11,12-octahydrocyclonona[b]indol-4-yl)nonan-1-imine
CID 170099529
decane;phthalic acid
CID 158763790
(6R)-6-methyl-N-(3-pyrrolidin-1-ylpropyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 97023855

Frequently Asked Questions

What is the IUPAC name of 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The IUPAC name of 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid (CID 175402071) is 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid.
What is the SMILES notation for 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The canonical SMILES for 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is CCCCCCC1CCc2c([nH]c3c(C(=O)O)cccc23)C1.
What is the InChIKey of 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
The InChIKey is PIFDBXJALVQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-2-3-4-5-7-13-10-11-14-15-8-6-9-16(19(21)22)18(15)20-17(14)12-13/h6,8-9,13,20H,2-5,7,10-12H2,1H3,(H,21,22).
What are the key properties of 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid?
7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid is sourced from PubChem (CID 175402071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).