methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate

C11H12ClNO2 — CID 117193319

IUPACmethyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1(C)Cc2cc(Cl)ccc2N1
InChIInChI=1S/C11H12ClNO2/c1-11(10(14)15-2)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,6H2,1-2H3
InChIKeyKARIUAMPLMEQFJ-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.24
Rot. Bonds1

About methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate

methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate (PubChem CID 117193319) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate
PubChem CID117193319
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Namemethyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1(C)Cc2cc(Cl)ccc2N1
InChIInChI=1S/C11H12ClNO2/c1-11(10(14)15-2)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,6H2,1-2H3
InChIKeyKARIUAMPLMEQFJ-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193461
methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride
CID 19710615
(6-chloro-3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl) benzoate
CID 174722341
methyl (2R)-7-chloro-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 7170820
methyl (2R)-5-chloro-2,3-dihydro-1H-indole-2-carboxylate
CID 21344957
methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803
methyl 6-fluoro-3-methyl-2,4-dihydro-1H-isoquinoline-3-carboxylate
CID 68549388
dimethyl 6-chloro-3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471489
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008
6-chloro-2-ethyl-2-methyl-3,4-dihydro-1H-quinoline
CID 84723056
methyl (3aS,8bR)-7-chloro-2-oxo-4,8b-dihydro-3H-indeno[1,2-b]furan-3a-carboxylate
CID 89472088

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate (CID 117193319) is methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate is COC(=O)C1(C)Cc2cc(Cl)ccc2N1.
What is the InChIKey of methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate?
The InChIKey is KARIUAMPLMEQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-11(10(14)15-2)6-7-5-8(12)3-4-9(7)13-11/h3-5,13H,6H2,1-2H3.
What are the key properties of methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate?
methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate has a molecular weight of 225.68 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 117193319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).