methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate

C18H15NO2 — CID 154810461

IUPACmethyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)CCc1ccccc1-3
InChIInChI=1S/C18H15NO2/c1-21-18(20)12-7-9-16-15(10-12)14-8-6-11-4-2-3-5-13(11)17(14)19-16/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyBLAMDFLFXKECIX-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.72
Rot. Bonds1

About methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate

methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate (PubChem CID 154810461) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate.

Molecular Properties

Compound Namemethyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
PubChem CID154810461
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Namemethyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate
SMILESCOC(=O)c1ccc2[nH]c3c(c2c1)CCc1ccccc1-3
InChIInChI=1S/C18H15NO2/c1-21-18(20)12-7-9-16-15(10-12)14-8-6-11-4-2-3-5-13(11)17(14)19-16/h2-5,7,9-10,19H,6,8H2,1H3
InChIKeyBLAMDFLFXKECIX-UHFFFAOYSA-N
XLogP3.72
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6,11-dioxo-5H-benzo[b]carbazole-2-carboxylate
CID 170638986
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CID 18998711
methyl 3-(3-chlorophenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154515
methyl 9H-carbazole-2-carboxylate;1-methylpyrrolidine
CID 143732942
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
methyl 3-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1H-benzo[g]indole-2-carboxylate
CID 166154523
methyl 8-anilino-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 159619714
ethyl 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxylate
CID 135412762
methyl 7-methyl-8-[2-(trifluoromethyl)phenyl]-5,6-dihydronaphthalene-2-carboxylate
CID 118525838
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080
2-methylidene-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),3,5,7,12,14,16-heptaene
CID 18715259
N-propan-2-yl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135516734

Frequently Asked Questions

What is the IUPAC name of methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate?
The IUPAC name of methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate (CID 154810461) is methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate.
What is the SMILES notation for methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate?
The canonical SMILES for methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate is COC(=O)c1ccc2[nH]c3c(c2c1)CCc1ccccc1-3.
What is the InChIKey of methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate?
The InChIKey is BLAMDFLFXKECIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-18(20)12-7-9-16-15(10-12)14-8-6-11-4-2-3-5-13(11)17(14)19-16/h2-5,7,9-10,19H,6,8H2,1H3.
What are the key properties of methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate?
methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,11-dihydro-5H-benzo[a]carbazole-8-carboxylate is sourced from PubChem (CID 154810461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).