1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one

C16H22N2O2 — CID 168661797

IUPAC1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c19-12-14-8-16(20)18(10-14)15-6-7-17(11-15)9-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2
InChIKeyZDLGUSDIIVSNTE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.10
Rot. Bonds4

About 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one

1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168661797) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168661797
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c19-12-14-8-16(20)18(10-14)15-6-7-17(11-15)9-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2
InChIKeyZDLGUSDIIVSNTE-UHFFFAOYSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
CID 64590686
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
CID 168683832
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
4-(hydroxymethyl)-1-(1-pentylpyrrolidin-3-yl)pyrrolidin-2-one
CID 117005880
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 168661797) is 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1C1CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is ZDLGUSDIIVSNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-12-14-8-16(20)18(10-14)15-6-7-17(11-15)9-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12H2.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one?
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168661797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).