methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

C14H14ClNO2 — CID 2858031

IUPACmethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H14ClNO2/c1-18-14(17)10-4-2-3-9-11-7-8(15)5-6-12(11)16-13(9)10/h5-7,10,16H,2-4H2,1H3
InChIKeyBDJYSXMSWWLFRV-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.41
Rot. Bonds1

About methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate

methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (PubChem CID 2858031) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
PubChem CID2858031
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Namemethyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
SMILESCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
InChIInChI=1S/C14H14ClNO2/c1-18-14(17)10-4-2-3-9-11-7-8(15)5-6-12(11)16-13(9)10/h5-7,10,16H,2-4H2,1H3
InChIKeyBDJYSXMSWWLFRV-UHFFFAOYSA-N
XLogP3.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The IUPAC name of methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate (CID 2858031) is methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate.
What is the SMILES notation for methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The canonical SMILES for methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is COC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21.
What is the InChIKey of methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
The InChIKey is BDJYSXMSWWLFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-18-14(17)10-4-2-3-9-11-7-8(15)5-6-12(11)16-13(9)10/h5-7,10,16H,2-4H2,1H3.
What are the key properties of methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate?
methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate has a molecular weight of 263.72 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate is sourced from PubChem (CID 2858031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).