1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one

C20H22N2O2 — CID 56799995

IUPAC1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C(NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-20-18(8-10-22(20)14-15-4-2-1-3-5-15)21-13-16-6-7-19-17(12-16)9-11-24-19/h1-7,12,18,21H,8-11,13-14H2
InChIKeyIFNQSNXCICHTHW-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.51
Rot. Bonds5

About 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one

1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one (PubChem CID 56799995) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one
PubChem CID56799995
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C(NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c23-20-18(8-10-22(20)14-15-4-2-1-3-5-15)21-13-16-6-7-19-17(12-16)9-11-24-19/h1-7,12,18,21H,8-11,13-14H2
InChIKeyIFNQSNXCICHTHW-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-(4-((2-Fluorophenyl)methoxy)phenyl)-2-pyrrolidinecarboxamide
CID 16046068
(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
CID 10517190
1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzofuran-5-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 10346184
(S)-2-amino-N-(4-(3,5-dimethylphenoxy)-3-methylbenzyl)propanamide
CID 121231417
(2S)-2-amino-4-[(4-phenylmethoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one
CID 11372458
2-(S)-Amino-4-(2-benzyloxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11383468
Mao-B-IN-5
CID 11324918
(2R)-N-tert-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11634960
(S)-N-(2-phenoxybenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11709831
(4R)-1-[4-(benzyloxy)benzyl]-N-hydroxy-2-oxoimidazolidine-4-carboxamide
CID 44272837
(S)-2-[4-(3-Phenyl-propoxy)-benzylamino]-propionamide
CID 44318764
N-[2-({2-[(2S,4S)-2-Cyano-4-fluoropyrrolidin-1-yl]-2-oxoethyl}amino)-2-methylpropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44560265

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one (CID 56799995) is 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one is O=C1C(NCc2ccc3c(c2)CCO3)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one?
The InChIKey is IFNQSNXCICHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20-18(8-10-22(20)14-15-4-2-1-3-5-15)21-13-16-6-7-19-17(12-16)9-11-24-19/h1-7,12,18,21H,8-11,13-14H2.
What are the key properties of 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one?
1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 56799995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).