5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

C16H17Cl2NO2 — CID 11602287

IUPAC5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESCCCC1(C(=O)O)CCCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C16H17Cl2NO2/c1-2-7-16(15(20)21)8-3-4-9-12-10(17)5-6-11(18)13(12)19-14(9)16/h5-6,19H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyWXVDJFVBOHMICQ-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.93
Rot. Bonds3

About 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid

5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 11602287) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
PubChem CID11602287
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
SMILESCCCC1(C(=O)O)CCCc2c1[nH]c1c(Cl)ccc(Cl)c21
InChIInChI=1S/C16H17Cl2NO2/c1-2-7-16(15(20)21)8-3-4-9-12-10(17)5-6-11(18)13(12)19-14(9)16/h5-6,19H,2-4,7-8H2,1H3,(H,20,21)
InChIKeyWXVDJFVBOHMICQ-UHFFFAOYSA-N
XLogP4.93
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(3-chloro-2-methylphenyl)-1H-indol-5-yl]propanoic acid
CID 164613862
5,8-dichloro-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
CID 11645283
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 7074071
3-allyl-5,8-dichloro-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
CID 11500555
3-butyl-5,8-dichloro-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
CID 11515367
8-chloro-1-propyl-5-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 11631847
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 3148372
2-(8-chloro-9H-carbazol-1-yl)acetic acid
CID 71340855
3-[2-(2,5-dichlorophenyl)-1H-indol-5-yl]propanoic acid
CID 164610654
methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 2858031
3-[7-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoic acid
CID 132992776
methyl (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 686286

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid (CID 11602287) is 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is CCCC1(C(=O)O)CCCc2c1[nH]c1c(Cl)ccc(Cl)c21.
What is the InChIKey of 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is WXVDJFVBOHMICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-2-7-16(15(20)21)8-3-4-9-12-10(17)5-6-11(18)13(12)19-14(9)16/h5-6,19H,2-4,7-8H2,1H3,(H,20,21).
What are the key properties of 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid?
5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 326.22 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1-propyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 11602287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).