(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide

C15H21N3O — CID 95051290

IUPAC(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CC[C@H](N2CCc3cc(C)ccc32)C1
InChIInChI=1S/C15H21N3O/c1-11-3-4-14-12(9-11)5-8-18(14)13-6-7-17(10-13)15(19)16-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyMXCNADWXKYQDJK-ZDUSSCGKSA-N
MW259.35 g/mol
LogP1.77
Rot. Bonds1

About (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide

(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 95051290) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
PubChem CID95051290
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide
SMILESCNC(=O)N1CC[C@H](N2CCc3cc(C)ccc32)C1
InChIInChI=1S/C15H21N3O/c1-11-3-4-14-12(9-11)5-8-18(14)13-6-7-17(10-13)15(19)16-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyMXCNADWXKYQDJK-ZDUSSCGKSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide (CID 95051290) is (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide is CNC(=O)N1CC[C@H](N2CCc3cc(C)ccc32)C1.
What is the InChIKey of (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is MXCNADWXKYQDJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-3-4-14-12(9-11)5-8-18(14)13-6-7-17(10-13)15(19)16-2/h3-4,9,13H,5-8,10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide?
(3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-(5-methyl-2,3-dihydroindol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 95051290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).