6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate

C13H12NO2- — CID 7451039

IUPAC6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
SMILESO=C([O-])c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C13H13NO2/c15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-7,14H,1-4H2,(H,15,16)/p-1
InChIKeyPCWDMUSCUJPFII-UHFFFAOYSA-M
MW214.24 g/mol
LogP1.41
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate

6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate (PubChem CID 7451039) has the molecular formula C13H12NO2- and a molecular weight of 214.24 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
PubChem CID7451039
Molecular FormulaC13H12NO2-
Molecular Weight214.24 g/mol
Exact Mass214.09
IUPAC Name6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
SMILESO=C([O-])c1ccc2c3c([nH]c2c1)CCCC3
InChIInChI=1S/C13H13NO2/c15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-7,14H,1-4H2,(H,15,16)/p-1
InChIKeyPCWDMUSCUJPFII-UHFFFAOYSA-M
XLogP1.41
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 51.41
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

7-nitro-2,3,4,9-tetrahydro-1H-carbazole
CID 15621612
N-methyl-N-(2-methylsulfanylethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77084236
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 29257379
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 95194960
N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77089569
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 118778216
N-(4-methoxyoxan-3-yl)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 156608505
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
3-bromo-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 7074175
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
The IUPAC name of 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate (CID 7451039) is 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate is O=C([O-])c1ccc2c3c([nH]c2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
The InChIKey is PCWDMUSCUJPFII-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13NO2/c15-13(16)8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h5-7,14H,1-4H2,(H,15,16)/p-1.
What are the key properties of 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate?
6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate has a molecular weight of 214.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate is sourced from PubChem (CID 7451039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).