methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate

C16H20N2O4 — CID 175101241

IUPACmethyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(C(=O)N1CCOC(C)C1)N2
InChIInChI=1S/C16H20N2O4/c1-10-9-18(5-6-22-10)15(19)14-8-12-7-11(16(20)21-2)3-4-13(12)17-14/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyMFTWDFITZHBYPC-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.06
Rot. Bonds2

About methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate

methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate (PubChem CID 175101241) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate
PubChem CID175101241
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(C(=O)N1CCOC(C)C1)N2
InChIInChI=1S/C16H20N2O4/c1-10-9-18(5-6-22-10)15(19)14-8-12-7-11(16(20)21-2)3-4-13(12)17-14/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3
InChIKeyMFTWDFITZHBYPC-UHFFFAOYSA-N
XLogP1.06
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate?
The IUPAC name of methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate (CID 175101241) is methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate?
The canonical SMILES for methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate is COC(=O)c1ccc2c(c1)CC(C(=O)N1CCOC(C)C1)N2.
What is the InChIKey of methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate?
The InChIKey is MFTWDFITZHBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-9-18(5-6-22-10)15(19)14-8-12-7-11(16(20)21-2)3-4-13(12)17-14/h3-4,7,10,14,17H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate?
methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylmorpholine-4-carbonyl)-2,3-dihydro-1H-indole-5-carboxylate is sourced from PubChem (CID 175101241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).