ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate

C17H17NO2 — CID 170074129

IUPACethyl 2,3-dimethylbenzo[e]indole-1-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc3ccccc3c12
InChIInChI=1S/C17H17NO2/c1-4-20-17(19)15-11(2)18(3)14-10-9-12-7-5-6-8-13(12)16(14)15/h5-10H,4H2,1-3H3
InChIKeyQQHINPRPZPKFJC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.82
Rot. Bonds2

About ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate

ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate (PubChem CID 170074129) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dimethylbenzo[e]indole-1-carboxylate
PubChem CID170074129
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Nameethyl 2,3-dimethylbenzo[e]indole-1-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2ccc3ccccc3c12
InChIInChI=1S/C17H17NO2/c1-4-20-17(19)15-11(2)18(3)14-10-9-12-7-5-6-8-13(12)16(14)15/h5-10H,4H2,1-3H3
InChIKeyQQHINPRPZPKFJC-UHFFFAOYSA-N
XLogP3.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
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ethyl 3-hydroxy-1-oxobenzo[f]quinolizine-4-carboxylate
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ethyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxy-1,2-dimethylindole-3-carboxylate
CID 1251193
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
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ethyl 5-hydroxy-1,2-dimethyl-4-(2-methylimino-4-oxoheptan-3-yl)indole-3-carboxylate
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ethyl 1,2-dimethyl-5-(2-phenoxyacetyl)oxyindole-3-carboxylate
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ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
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diethyl 2-naphthalen-1-ylazulene-1,3-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate?
The IUPAC name of ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate (CID 170074129) is ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate?
The canonical SMILES for ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate is CCOC(=O)c1c(C)n(C)c2ccc3ccccc3c12.
What is the InChIKey of ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate?
The InChIKey is QQHINPRPZPKFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-20-17(19)15-11(2)18(3)14-10-9-12-7-5-6-8-13(12)16(14)15/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate?
ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate is sourced from PubChem (CID 170074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).