methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate

C12H14BrNO2 — CID 117193382

IUPACmethyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
SMILESCCC1(C(=O)OC)Cc2cccc(Br)c2N1
InChIInChI=1S/C12H14BrNO2/c1-3-12(11(15)16-2)7-8-5-4-6-9(13)10(8)14-12/h4-6,14H,3,7H2,1-2H3
InChIKeyWFYGPSKMBRJXRC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.74
Rot. Bonds2

About methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate

methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate (PubChem CID 117193382) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
PubChem CID117193382
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
SMILESCCC1(C(=O)OC)Cc2cccc(Br)c2N1
InChIInChI=1S/C12H14BrNO2/c1-3-12(11(15)16-2)7-8-5-4-6-9(13)10(8)14-12/h4-6,14H,3,7H2,1-2H3
InChIKeyWFYGPSKMBRJXRC-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
CID 117193354
methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193490
methyl 7-bromo-2-ethyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193468
2-ethyl-8-methoxy-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193502
methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193410
methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193420
N-(2,6-dibromophenyl)propanamide
CID 103863189
ethyl (3S)-8-bromo-1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 67755456
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
2-ethyl-8-fluoro-5-methoxycarbonyl-4-oxo-1,3-dihydroquinoline-2-carboxylic acid
CID 66588752
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
CID 115050329
methyl 5-bromo-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylate
CID 117110697

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate (CID 117193382) is methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate is CCC1(C(=O)OC)Cc2cccc(Br)c2N1.
What is the InChIKey of methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
The InChIKey is WFYGPSKMBRJXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-3-12(11(15)16-2)7-8-5-4-6-9(13)10(8)14-12/h4-6,14H,3,7H2,1-2H3.
What are the key properties of methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate has a molecular weight of 284.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 117193382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).