4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one

C13H17N3O — CID 106182038

IUPAC4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
SMILESNC1CC(NC2CNC(=O)C2)c2ccccc21
InChIInChI=1S/C13H17N3O/c14-11-6-12(10-4-2-1-3-9(10)11)16-8-5-13(17)15-7-8/h1-4,8,11-12,16H,5-7,14H2,(H,15,17)
InChIKeyMYPHHNONSCKHQH-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.61
Rot. Bonds2

About 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one

4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one (PubChem CID 106182038) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
PubChem CID106182038
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one
SMILESNC1CC(NC2CNC(=O)C2)c2ccccc21
InChIInChI=1S/C13H17N3O/c14-11-6-12(10-4-2-1-3-9(10)11)16-8-5-13(17)15-7-8/h1-4,8,11-12,16H,5-7,14H2,(H,15,17)
InChIKeyMYPHHNONSCKHQH-UHFFFAOYSA-N
XLogP0.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one (CID 106182038) is 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one is NC1CC(NC2CNC(=O)C2)c2ccccc21.
What is the InChIKey of 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
The InChIKey is MYPHHNONSCKHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-6-12(10-4-2-1-3-9(10)11)16-8-5-13(17)15-7-8/h1-4,8,11-12,16H,5-7,14H2,(H,15,17).
What are the key properties of 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one?
4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106182038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).