1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one

C11H18N2O3 — CID 22416207

IUPAC1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCCC1=O
InChIInChI=1S/C11H18N2O3/c14-9(7-12-5-1-3-10(12)15)8-13-6-2-4-11(13)16/h9,14H,1-8H2
InChIKeyPPLYBNFRWMOWIE-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.41
Rot. Bonds4

About 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one

1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 22416207) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
PubChem CID22416207
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(O)CN1CCCC1=O
InChIInChI=1S/C11H18N2O3/c14-9(7-12-5-1-3-10(12)15)8-13-6-2-4-11(13)16/h9,14H,1-8H2
InChIKeyPPLYBNFRWMOWIE-UHFFFAOYSA-N
XLogP-0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-3-hydroxy-1-[4-(1-pyrrolidinyl)-2-butynyl]-2-pyrrolidinone
CID 15046675
(R)-3-Hydroxy-1-[4-(1-pyrrolidinyl)-2-butynyl]-2-pyrrolidinone
CID 15046676
(4R)-4-hydroxy-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15046678
1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-one
CID 15046680
(S)-4-Hydroxy-1-[4-(1-pyrrolidinyl)2-butynyl]-2-pyrrolidinone
CID 15046677
1-[4-[(3R)-3-hydroxypyrrolidin-1-yl]but-2-ynyl]pyrrolidin-2-one
CID 15046681
1-[1,2-Dihydroxy-2-(2-oxopyrrolidin-1-yl)ethyl]-2-pyrrolidinone
CID 534360
1-[2-Hydroxy-3-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]pyrrolidin-2-one
CID 109967835
1-[3-[2,2-Difluoroethyl(propyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116498
1-[3-[2,2-Difluoroethyl(methyl)amino]-2-hydroxypropyl]pyrrolidin-2-one
CID 111116568
1-[2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 132421886
(Racemic)-1-[4-(3-Hydroxy-1-pyrrolidinyl)-2-butynyl]-2-pyrrolidinone
CID 15046679

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one (CID 22416207) is 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CC(O)CN1CCCC1=O.
What is the InChIKey of 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is PPLYBNFRWMOWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9(7-12-5-1-3-10(12)15)8-13-6-2-4-11(13)16/h9,14H,1-8H2.
What are the key properties of 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 22416207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).