1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one

C20H22N2O — CID 154860377

IUPAC1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2Cc3ccccc3C2)CN1Cc1ccccc1
InChIInChI=1S/C20H22N2O/c23-20-12-19(14-22(20)13-15-6-2-1-3-7-15)21-18-10-16-8-4-5-9-17(16)11-18/h1-9,18-19,21H,10-14H2
InChIKeyUSKIIFFUHDIYFS-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.54
Rot. Bonds4

About 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one

1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one (PubChem CID 154860377) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
PubChem CID154860377
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one
SMILESO=C1CC(NC2Cc3ccccc3C2)CN1Cc1ccccc1
InChIInChI=1S/C20H22N2O/c23-20-12-19(14-22(20)13-15-6-2-1-3-7-15)21-18-10-16-8-4-5-9-17(16)11-18/h1-9,18-19,21H,10-14H2
InChIKeyUSKIIFFUHDIYFS-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one (CID 154860377) is 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one is O=C1CC(NC2Cc3ccccc3C2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one?
The InChIKey is USKIIFFUHDIYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20-12-19(14-22(20)13-15-6-2-1-3-7-15)21-18-10-16-8-4-5-9-17(16)11-18/h1-9,18-19,21H,10-14H2.
What are the key properties of 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one?
1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 154860377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).