N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide

C11H14N2O3 — CID 2191479

IUPACN-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1ccco1)C(=O)N1CCCC1
InChIInChI=1S/C11H14N2O3/c14-10(11(15)13-5-1-2-6-13)12-8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,14)
InChIKeyNHEKQAUNHSFJHP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.52
Rot. Bonds2

About N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide

N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 2191479) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID2191479
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1ccco1)C(=O)N1CCCC1
InChIInChI=1S/C11H14N2O3/c14-10(11(15)13-5-1-2-6-13)12-8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,14)
InChIKeyNHEKQAUNHSFJHP-UHFFFAOYSA-N
XLogP0.52
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide (CID 2191479) is N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide is O=C(NCc1ccco1)C(=O)N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is NHEKQAUNHSFJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(11(15)13-5-1-2-6-13)12-8-9-4-3-7-16-9/h3-4,7H,1-2,5-6,8H2,(H,12,14).
What are the key properties of N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide?
N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 222.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2191479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).