(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

C13H11ClNO2- — CID 7074070

IUPAC(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESO=C([O-])[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/p-1/t9-/m1/s1
InChIKeyKBAOXJSNMBNBHM-SECBINFHSA-M
MW248.69 g/mol
LogP1.99
Rot. Bonds1

About (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (PubChem CID 7074070) has the molecular formula C13H11ClNO2- and a molecular weight of 248.69 g/mol. Its IUPAC name is (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.

Molecular Properties

Compound Name(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
PubChem CID7074070
Molecular FormulaC13H11ClNO2-
Molecular Weight248.69 g/mol
Exact Mass248.05
IUPAC Name(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESO=C([O-])[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/p-1/t9-/m1/s1
InChIKeyKBAOXJSNMBNBHM-SECBINFHSA-M
XLogP1.99
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 609412
6-chloro-N-(dimethylaminomethylidene)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3459836
6-chloro-1-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 90770100
N-[(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-4-carboxamide
CID 97425894
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756
N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-3-methylbutanamide
CID 97424397
7-chloro-9-oxo-1,2,3,4-tetrahydrocyclopenta[b]quinoline-3-carboxamide
CID 71035373
7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 24800976
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
6-chloro-N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65332691
1-(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)cyclobutane-1-carboxamide
CID 18317945
6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 162662308

Frequently Asked Questions

What is the IUPAC name of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The IUPAC name of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (CID 7074070) is (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.
What is the SMILES notation for (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The canonical SMILES for (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is O=C([O-])[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The InChIKey is KBAOXJSNMBNBHM-SECBINFHSA-M. The full InChI is InChI=1S/C13H12ClNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(16)17)12(8)15-11/h4-6,9,15H,1-3H2,(H,16,17)/p-1/t9-/m1/s1.
What are the key properties of (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
(1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate has a molecular weight of 248.69 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is sourced from PubChem (CID 7074070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).