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

C12H20N2O3 — CID 168663026

IUPAC4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CC(CO)CC1=O
InChIInChI=1S/C12H20N2O3/c15-9-10-7-12(17)14(8-10)6-2-5-13-4-1-3-11(13)16/h10,15H,1-9H2
InChIKeyHSHFOQGSKCESMK-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.16
Rot. Bonds5

About 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 168663026) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
PubChem CID168663026
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CC(CO)CC1=O
InChIInChI=1S/C12H20N2O3/c15-9-10-7-12(17)14(8-10)6-2-5-13-4-1-3-11(13)16/h10,15H,1-9H2
InChIKeyHSHFOQGSKCESMK-UHFFFAOYSA-N
XLogP-0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673651
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
6-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168663010
4-(hydroxymethyl)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-2-one
CID 168661946
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
N-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106339803
4-(hydroxymethyl)-1-(3-phenylsulfanylpropyl)pyrrolidin-2-one
CID 168663037
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
S-[[1-(4-hydroxybutyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667570

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one (CID 168663026) is 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CCCN1CC(CO)CC1=O.
What is the InChIKey of 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is HSHFOQGSKCESMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-9-10-7-12(17)14(8-10)6-2-5-13-4-1-3-11(13)16/h10,15H,1-9H2.
What are the key properties of 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168663026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).