methyl 6H-benzo[a]carbazole-3-carboxylate

C18H13NO2 — CID 154059029

IUPACmethyl 6H-benzo[a]carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=CCC1=c3ccccc3=NC=21
InChIInChI=1S/C18H13NO2/c1-21-18(20)12-7-8-13-11(10-12)6-9-15-14-4-2-3-5-16(14)19-17(13)15/h2-8,10H,9H2,1H3
InChIKeyYUNDHVQWOKWHJW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.25
Rot. Bonds1

About methyl 6H-benzo[a]carbazole-3-carboxylate

methyl 6H-benzo[a]carbazole-3-carboxylate (PubChem CID 154059029) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 6H-benzo[a]carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6H-benzo[a]carbazole-3-carboxylate
PubChem CID154059029
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Namemethyl 6H-benzo[a]carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)=CCC1=c3ccccc3=NC=21
InChIInChI=1S/C18H13NO2/c1-21-18(20)12-7-8-13-11(10-12)6-9-15-14-4-2-3-5-16(14)19-17(13)15/h2-8,10H,9H2,1H3
InChIKeyYUNDHVQWOKWHJW-UHFFFAOYSA-N
XLogP0.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3,5-dimethyl-7H-pyrido[2,3-c]carbazole-1-carboxylate
CID 266900
Methyl 2-oxoindole-6-carboxylate
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Furo[3,4-b]indeno[2,1-f]quinolin-1-one
CID 129857665
Methyl 2-oxoindole-5-carboxylate
CID 46739851
ethyl 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylate
CID 67785136
4,14-Dioxa-17-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,5,7,9,11,15-heptaen-13-one
CID 141014561
methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
CID 142143458
Methyl 2,3-dihydroquinoline-7-carboxylate
CID 144298433
Ethyl 3-methyl-2-methylideneindol-1-ium-5-carboxylate
CID 145756999
1H-benzo[a]carbazole-3-carboxylic acid
CID 150236426
methyl 7H-carbazole-3-carboxylate
CID 154021573
methyl 5H-carbazole-3-carboxylate
CID 154067229

Frequently Asked Questions

What is the IUPAC name of methyl 6H-benzo[a]carbazole-3-carboxylate?
The IUPAC name of methyl 6H-benzo[a]carbazole-3-carboxylate (CID 154059029) is methyl 6H-benzo[a]carbazole-3-carboxylate.
What is the SMILES notation for methyl 6H-benzo[a]carbazole-3-carboxylate?
The canonical SMILES for methyl 6H-benzo[a]carbazole-3-carboxylate is COC(=O)c1ccc2c(c1)=CCC1=c3ccccc3=NC=21.
What is the InChIKey of methyl 6H-benzo[a]carbazole-3-carboxylate?
The InChIKey is YUNDHVQWOKWHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-21-18(20)12-7-8-13-11(10-12)6-9-15-14-4-2-3-5-16(14)19-17(13)15/h2-8,10H,9H2,1H3.
What are the key properties of methyl 6H-benzo[a]carbazole-3-carboxylate?
methyl 6H-benzo[a]carbazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6H-benzo[a]carbazole-3-carboxylate is sourced from PubChem (CID 154059029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).