4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one

C19H27N3O — CID 166730181

IUPAC4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCNC1CCN(C2CCC3(CC2)C(=O)Nc2cccc(C)c23)C1
InChIInChI=1S/C19H27N3O/c1-13-4-3-5-16-17(13)19(18(23)21-16)9-6-15(7-10-19)22-11-8-14(12-22)20-2/h3-5,14-15,20H,6-12H2,1-2H3,(H,21,23)
InChIKeyPLDXSDBGGRPJMB-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.42
Rot. Bonds2

About 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one

4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 166730181) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID166730181
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESCNC1CCN(C2CCC3(CC2)C(=O)Nc2cccc(C)c23)C1
InChIInChI=1S/C19H27N3O/c1-13-4-3-5-16-17(13)19(18(23)21-16)9-6-15(7-10-19)22-11-8-14(12-22)20-2/h3-5,14-15,20H,6-12H2,1-2H3,(H,21,23)
InChIKeyPLDXSDBGGRPJMB-UHFFFAOYSA-N
XLogP2.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one (CID 166730181) is 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one is CNC1CCN(C2CCC3(CC2)C(=O)Nc2cccc(C)c23)C1.
What is the InChIKey of 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is PLDXSDBGGRPJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13-4-3-5-16-17(13)19(18(23)21-16)9-6-15(7-10-19)22-11-8-14(12-22)20-2/h3-5,14-15,20H,6-12H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one?
4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 313.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4'-[3-(methylamino)pyrrolidin-1-yl]spiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 166730181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).