(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one

C11H18N2O3 — CID 102737963

IUPAC(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)[C@H]2CCC(=O)N2)C1CO
InChIInChI=1S/C11H18N2O3/c1-7-4-5-13(9(7)6-14)11(16)8-2-3-10(15)12-8/h7-9,14H,2-6H2,1H3,(H,12,15)/t7?,8-,9?/m1/s1
InChIKeyKEPFUIPFVPTCLN-QJAFJHJLSA-N
MW226.28 g/mol
LogP-0.51
Rot. Bonds2

About (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 102737963) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
PubChem CID102737963
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)[C@H]2CCC(=O)N2)C1CO
InChIInChI=1S/C11H18N2O3/c1-7-4-5-13(9(7)6-14)11(16)8-2-3-10(15)12-8/h7-9,14H,2-6H2,1H3,(H,12,15)/t7?,8-,9?/m1/s1
InChIKeyKEPFUIPFVPTCLN-QJAFJHJLSA-N
XLogP-0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one (CID 102737963) is (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one is CC1CCN(C(=O)[C@H]2CCC(=O)N2)C1CO.
What is the InChIKey of (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KEPFUIPFVPTCLN-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-4-5-13(9(7)6-14)11(16)8-2-3-10(15)12-8/h7-9,14H,2-6H2,1H3,(H,12,15)/t7?,8-,9?/m1/s1.
What are the key properties of (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 102737963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).