methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate

C12H15NO2 — CID 10013183

IUPACmethyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate
SMILESCCc1c(C(=O)OC)[nH]c2c1CCC=C2
InChIInChI=1S/C12H15NO2/c1-3-8-9-6-4-5-7-10(9)13-11(8)12(14)15-2/h5,7,13H,3-4,6H2,1-2H3
InChIKeyYYWOYAFQDMXKOF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.32
Rot. Bonds2

About methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate

methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate (PubChem CID 10013183) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate
PubChem CID10013183
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate
SMILESCCc1c(C(=O)OC)[nH]c2c1CCC=C2
InChIInChI=1S/C12H15NO2/c1-3-8-9-6-4-5-7-10(9)13-11(8)12(14)15-2/h5,7,13H,3-4,6H2,1-2H3
InChIKeyYYWOYAFQDMXKOF-UHFFFAOYSA-N
XLogP2.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-acetyloxy-3-ethyl-5,5-dimethyl-1,4,6,7-tetrahydroindole-2-carboxylate
CID 101376952
methyl 5-chloro-3-ethyl-1H-pyrrole-2-carboxylate
CID 91196285
methyl 3-ethyl-4-iodo-5-phenyl-1H-pyrrole-2-carboxylate
CID 135385489
2,3,4,5,6,9-hexahydro-1H-pyrido[3,4-b]indole
CID 18781921
methyl 5-ethyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
CID 117225161
3-methyl-2-[(Z)-prop-1-enyl]-4,5-dihydro-1H-indole
CID 167147131
dimethyl 3,4-bis(2,2,2-trifluoroethyl)-1H-pyrrole-2,5-dicarboxylate
CID 3573953
methyl 7-ethyl-2,3-dihydro-1H-indene-4-carboxylate
CID 166806898
8-ethyl-1,2-dihydronaphthalene
CID 13330233
ethyl 5-[5-[5-[5-[5-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrol-2-yl]-3,4-diethyl-1H-pyrrole-2-carboxylate
CID 102398468
methyl 3-cyano-4-ethyl-5-(hydroxymethyl)benzoate
CID 134613707
methyl 6-cyano-2,3-diethylbenzoate
CID 134613355

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate (CID 10013183) is methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate is CCc1c(C(=O)OC)[nH]c2c1CCC=C2.
What is the InChIKey of methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate?
The InChIKey is YYWOYAFQDMXKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-8-9-6-4-5-7-10(9)13-11(8)12(14)15-2/h5,7,13H,3-4,6H2,1-2H3.
What are the key properties of methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate?
methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-4,5-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 10013183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).