methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate

C19H25N3O3 — CID 71851601

IUPACmethyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)NCCc2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C19H25N3O3/c1-13-14(15-6-4-5-7-16(15)21-13)8-10-20-18(24)22-11-9-19(2,12-22)17(23)25-3/h4-7,21H,8-12H2,1-3H3,(H,20,24)
InChIKeySRKVDKPOIGIOAA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.61
Rot. Bonds4

About methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate

methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate (PubChem CID 71851601) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate
PubChem CID71851601
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(C(=O)NCCc2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C19H25N3O3/c1-13-14(15-6-4-5-7-16(15)21-13)8-10-20-18(24)22-11-9-19(2,12-22)17(23)25-3/h4-7,21H,8-12H2,1-3H3,(H,20,24)
InChIKeySRKVDKPOIGIOAA-UHFFFAOYSA-N
XLogP2.61
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate (CID 71851601) is methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(C(=O)NCCc2c(C)[nH]c3ccccc23)C1.
What is the InChIKey of methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate?
The InChIKey is SRKVDKPOIGIOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-14(15-6-4-5-7-16(15)21-13)8-10-20-18(24)22-11-9-19(2,12-22)17(23)25-3/h4-7,21H,8-12H2,1-3H3,(H,20,24).
What are the key properties of methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate?
methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 71851601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).