(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one

C19H20N2O3 — CID 95590642

IUPAC(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one
SMILESO=C1[C@H](NCc2cccc3c2OCO3)CCN1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19-16(9-10-21(19)12-14-5-2-1-3-6-14)20-11-15-7-4-8-17-18(15)24-13-23-17/h1-8,16,20H,9-13H2/t16-/m1/s1
InChIKeyNVGBNUKJIQUCSS-MRXNPFEDSA-N
MW324.38 g/mol
LogP2.31
Rot. Bonds5

About (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one

(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one (PubChem CID 95590642) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one
PubChem CID95590642
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one
SMILESO=C1[C@H](NCc2cccc3c2OCO3)CCN1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c22-19-16(9-10-21(19)12-14-5-2-1-3-6-14)20-11-15-7-4-8-17-18(15)24-13-23-17/h1-8,16,20H,9-13H2/t16-/m1/s1
InChIKeyNVGBNUKJIQUCSS-MRXNPFEDSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-4-ylmethylamino)pyrrolidine-2,5-dione
CID 61211147
1-(1,3-benzodioxol-5-ylmethyl)-3-(ethylamino)pyrrolidin-2-one
CID 62906981
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
CID 97222893
1-benzyl-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)pyrrolidin-2-one
CID 154745464
(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 95138958
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-methylphenyl)methyl]piperidin-4-amine
CID 56796579
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
CID 47083121
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 94799079
1-benzyl-3-(benzylamino)azetidin-2-one
CID 86116144
N-(1,3-benzodioxol-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958341
2-(1,3-benzodioxol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103243100
(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 94817453

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one?
The IUPAC name of (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one (CID 95590642) is (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one is O=C1[C@H](NCc2cccc3c2OCO3)CCN1Cc1ccccc1.
What is the InChIKey of (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one?
The InChIKey is NVGBNUKJIQUCSS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19-16(9-10-21(19)12-14-5-2-1-3-6-14)20-11-15-7-4-8-17-18(15)24-13-23-17/h1-8,16,20H,9-13H2/t16-/m1/s1.
What are the key properties of (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one?
(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one is sourced from PubChem (CID 95590642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).