5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one

C14H19N3O — CID 113365132

IUPAC5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one
SMILESNC1CC(NCC2CCC(=O)N2)c2ccccc21
InChIInChI=1S/C14H19N3O/c15-12-7-13(11-4-2-1-3-10(11)12)16-8-9-5-6-14(18)17-9/h1-4,9,12-13,16H,5-8,15H2,(H,17,18)
InChIKeyBAJPNHYSKNOIRM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.00
Rot. Bonds3

About 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one

5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 113365132) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one
PubChem CID113365132
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one
SMILESNC1CC(NCC2CCC(=O)N2)c2ccccc21
InChIInChI=1S/C14H19N3O/c15-12-7-13(11-4-2-1-3-10(11)12)16-8-9-5-6-14(18)17-9/h1-4,9,12-13,16H,5-8,15H2,(H,17,18)
InChIKeyBAJPNHYSKNOIRM-UHFFFAOYSA-N
XLogP1.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one (CID 113365132) is 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one is NC1CC(NCC2CCC(=O)N2)c2ccccc21.
What is the InChIKey of 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is BAJPNHYSKNOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-7-13(11-4-2-1-3-10(11)12)16-8-9-5-6-14(18)17-9/h1-4,9,12-13,16H,5-8,15H2,(H,17,18).
What are the key properties of 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one?
5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 113365132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).