ethyl 11H-benzo[a]carbazole-6-carboxylate

C19H15NO2 — CID 56956649

IUPACethyl 11H-benzo[a]carbazole-6-carboxylate
SMILESCCOC(=O)c1cc2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C19H15NO2/c1-2-22-19(21)15-11-12-7-3-4-8-13(12)18-17(15)14-9-5-6-10-16(14)20-18/h3-11,20H,2H2,1H3
InChIKeyBVVLDHVEMJQRSE-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.65
Rot. Bonds2

About ethyl 11H-benzo[a]carbazole-6-carboxylate

ethyl 11H-benzo[a]carbazole-6-carboxylate (PubChem CID 56956649) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 11H-benzo[a]carbazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 11H-benzo[a]carbazole-6-carboxylate
PubChem CID56956649
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Nameethyl 11H-benzo[a]carbazole-6-carboxylate
SMILESCCOC(=O)c1cc2ccccc2c2[nH]c3ccccc3c12
InChIInChI=1S/C19H15NO2/c1-2-22-19(21)15-11-12-7-3-4-8-13(12)18-17(15)14-9-5-6-10-16(14)20-18/h3-11,20H,2H2,1H3
InChIKeyBVVLDHVEMJQRSE-UHFFFAOYSA-N
XLogP4.65
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl Carbazole-3-Carboxylate
CID 504069
2-phenyl-1H-indole-6-carboxylic acid
CID 826252
3H-Benzo[e]indole-2-carboxylic acid
CID 354966
6,7,8,9-Tetrahydro-5H-carbazole-3-carboxylic acid ethyl ester
CID 827439
3-Cyclohexyl-2-phenyl-1H-indole-6-carboxylic acid
CID 5275439
ethyl 1H-benzo[f]indole-2-carboxylate
CID 848533
methyl 6-methyl-1H-indole-2-carboxylate
CID 4715128
ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
CID 44410730
methyl 7-tert-butyl-9H-carbazole-3-carboxylate
CID 46244082
1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-
CID 369538
ethyl 1-(formylamino)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylate
CID 2840515
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8898305

Frequently Asked Questions

What is the IUPAC name of ethyl 11H-benzo[a]carbazole-6-carboxylate?
The IUPAC name of ethyl 11H-benzo[a]carbazole-6-carboxylate (CID 56956649) is ethyl 11H-benzo[a]carbazole-6-carboxylate.
What is the SMILES notation for ethyl 11H-benzo[a]carbazole-6-carboxylate?
The canonical SMILES for ethyl 11H-benzo[a]carbazole-6-carboxylate is CCOC(=O)c1cc2ccccc2c2[nH]c3ccccc3c12.
What is the InChIKey of ethyl 11H-benzo[a]carbazole-6-carboxylate?
The InChIKey is BVVLDHVEMJQRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c1-2-22-19(21)15-11-12-7-3-4-8-13(12)18-17(15)14-9-5-6-10-16(14)20-18/h3-11,20H,2H2,1H3.
What are the key properties of ethyl 11H-benzo[a]carbazole-6-carboxylate?
ethyl 11H-benzo[a]carbazole-6-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 11H-benzo[a]carbazole-6-carboxylate is sourced from PubChem (CID 56956649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).