6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

C16H17Cl2NO2 — CID 84612177

IUPAC6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
SMILESCCCn1c2c(c3cc(Cl)c(Cl)cc31)CC(C(=O)O)CC2
InChIInChI=1S/C16H17Cl2NO2/c1-2-5-19-14-4-3-9(16(20)21)6-10(14)11-7-12(17)13(18)8-15(11)19/h7-9H,2-6H2,1H3,(H,20,21)
InChIKeyUZOYHRDDKAVSJX-UHFFFAOYSA-N
MW326.22 g/mol
LogP4.55
Rot. Bonds3

About 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid

6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (PubChem CID 84612177) has the molecular formula C16H17Cl2NO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
PubChem CID84612177
Molecular FormulaC16H17Cl2NO2
Molecular Weight326.22 g/mol
Exact Mass325.06
IUPAC Name6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
SMILESCCCn1c2c(c3cc(Cl)c(Cl)cc31)CC(C(=O)O)CC2
InChIInChI=1S/C16H17Cl2NO2/c1-2-5-19-14-4-3-9(16(20)21)6-10(14)11-7-12(17)13(18)8-15(11)19/h7-9H,2-6H2,1H3,(H,20,21)
InChIKeyUZOYHRDDKAVSJX-UHFFFAOYSA-N
XLogP4.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-chloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612169
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
9-(4-chlorobenzoyl)-6-phosphanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 138717980
9-[(4-methylphenyl)methyl]-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445340
(9-ethyl-6-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-piperazin-1-ylmethanone
CID 84613151
9-ethyl-6-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946773
(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 99996433
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
sodium;8,9-dichloro-6-(2-ethoxy-2-oxoethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid;hydride
CID 70098000
9-(4-chlorobenzoyl)-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445345
9-[[4-(2-carboxyphenyl)phenyl]methyl]-6-phenylmethoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 141445334

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
The IUPAC name of 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (CID 84612177) is 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid.
What is the SMILES notation for 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
The canonical SMILES for 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid is CCCn1c2c(c3cc(Cl)c(Cl)cc31)CC(C(=O)O)CC2.
What is the InChIKey of 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
The InChIKey is UZOYHRDDKAVSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO2/c1-2-5-19-14-4-3-9(16(20)21)6-10(14)11-7-12(17)13(18)8-15(11)19/h7-9H,2-6H2,1H3,(H,20,21).
What are the key properties of 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid?
6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid has a molecular weight of 326.22 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid is sourced from PubChem (CID 84612177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).