N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C13H18N2O3 — CID 4673648

IUPACN-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCc1ccco1
InChIInChI=1S/C13H18N2O3/c1-9(2)15-11(5-6-12(15)16)13(17)14-8-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyXHKMJVXAFAIYDF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 4673648) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID4673648
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCc1ccco1
InChIInChI=1S/C13H18N2O3/c1-9(2)15-11(5-6-12(15)16)13(17)14-8-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyXHKMJVXAFAIYDF-UHFFFAOYSA-N
XLogP1.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 4673648) is N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CCC1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is XHKMJVXAFAIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)15-11(5-6-12(15)16)13(17)14-8-10-4-3-7-18-10/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 4673648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).