1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one

C15H21N3O — CID 114455890

IUPAC1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESNc1cccc2c1N(C(=O)CCN1CCCC1)CC2
InChIInChI=1S/C15H21N3O/c16-13-5-3-4-12-6-11-18(15(12)13)14(19)7-10-17-8-1-2-9-17/h3-5H,1-2,6-11,16H2
InChIKeyDVASPZLMUIRQCD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.64
Rot. Bonds3

About 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 114455890) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID114455890
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESNc1cccc2c1N(C(=O)CCN1CCCC1)CC2
InChIInChI=1S/C15H21N3O/c16-13-5-3-4-12-6-11-18(15(12)13)14(19)7-10-17-8-1-2-9-17/h3-5H,1-2,6-11,16H2
InChIKeyDVASPZLMUIRQCD-UHFFFAOYSA-N
XLogP1.64
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 114455890) is 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one is Nc1cccc2c1N(C(=O)CCN1CCCC1)CC2.
What is the InChIKey of 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DVASPZLMUIRQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-5-3-4-12-6-11-18(15(12)13)14(19)7-10-17-8-1-2-9-17/h3-5H,1-2,6-11,16H2.
What are the key properties of 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 259.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114455890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).