1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one

C17H25N3O — CID 62096164

IUPAC1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H25N3O/c1-13(12-20-8-3-4-17(20)21)18-11-14-5-6-16-15(10-14)7-9-19(16)2/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyAHFYCBUQPPZLCF-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds5

About 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 62096164) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID62096164
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H25N3O/c1-13(12-20-8-3-4-17(20)21)18-11-14-5-6-16-15(10-14)7-9-19(16)2/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3
InChIKeyAHFYCBUQPPZLCF-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-2-amine
CID 62070504
4-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pentan-2-amine
CID 62096505
5-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]hexan-2-amine
CID 62096489
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 62095637
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
CID 63421316
2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propanoic acid
CID 62096350
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
4-[2-methoxy-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 49248820
(E)-3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]prop-2-enamide
CID 49024890
4-methyl-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]pentanoic acid
CID 62095154

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one (CID 62096164) is 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is AHFYCBUQPPZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(12-20-8-3-4-17(20)21)18-11-14-5-6-16-15(10-14)7-9-19(16)2/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 287.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 62096164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).