1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one

C11H18N2O3 — CID 62371576

IUPAC1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CN1CCC(CO)C1
InChIInChI=1S/C11H18N2O3/c14-8-9-3-5-12(6-9)7-11(16)13-4-1-2-10(13)15/h9,14H,1-8H2
InChIKeyNPBMGUDRBVLYNT-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.55
Rot. Bonds3

About 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one

1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 62371576) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
PubChem CID62371576
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CN1CCC(CO)C1
InChIInChI=1S/C11H18N2O3/c14-8-9-3-5-12(6-9)7-11(16)13-4-1-2-10(13)15/h9,14H,1-8H2
InChIKeyNPBMGUDRBVLYNT-UHFFFAOYSA-N
XLogP-0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one (CID 62371576) is 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CN1CCC(CO)C1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is NPBMGUDRBVLYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-8-9-3-5-12(6-9)7-11(16)13-4-1-2-10(13)15/h9,14H,1-8H2.
What are the key properties of 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 62371576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).