1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

C9H14N2O2 — CID 4159826

IUPAC1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCCC1=O
InChIInChI=1S/C9H14N2O2/c12-8-3-1-5-10(8)7-11-6-2-4-9(11)13/h1-7H2
InChIKeyCGGQYPNGNKEBLE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.19
Rot. Bonds2

About 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 4159826) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID4159826
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CN1CCCC1=O
InChIInChI=1S/C9H14N2O2/c12-8-3-1-5-10(8)7-11-6-2-4-9(11)13/h1-7H2
InChIKeyCGGQYPNGNKEBLE-UHFFFAOYSA-N
XLogP0.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (CID 4159826) is 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is O=C1CCCN1CN1CCCC1=O.
What is the InChIKey of 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is CGGQYPNGNKEBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-3-1-5-10(8)7-11-6-2-4-9(11)13/h1-7H2.
What are the key properties of 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 4159826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).