N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide

C14H17N3O2 — CID 83192047

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)C1CNC(=O)C1
InChIInChI=1S/C14H17N3O2/c15-10-2-3-11-8(5-10)1-4-12(11)17-14(19)9-6-13(18)16-7-9/h2-3,5,9,12H,1,4,6-7,15H2,(H,16,18)(H,17,19)
InChIKeyXWSDRAJPQIGOHJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.51
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 83192047) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID83192047
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)C1CNC(=O)C1
InChIInChI=1S/C14H17N3O2/c15-10-2-3-11-8(5-10)1-4-12(11)17-14(19)9-6-13(18)16-7-9/h2-3,5,9,12H,1,4,6-7,15H2,(H,16,18)(H,17,19)
InChIKeyXWSDRAJPQIGOHJ-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
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 N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide (CID 83192047) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide is Nc1ccc2c(c1)CCC2NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWSDRAJPQIGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-2-3-11-8(5-10)1-4-12(11)17-14(19)9-6-13(18)16-7-9/h2-3,5,9,12H,1,4,6-7,15H2,(H,16,18)(H,17,19).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83192047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).