4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one

C14H21NO2 — CID 66102587

IUPAC4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1ccc(C2CC(=O)NC2CC(C)C)o1
InChIInChI=1S/C14H21NO2/c1-4-10-5-6-13(17-10)11-8-14(16)15-12(11)7-9(2)3/h5-6,9,11-12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyNBRZJHXMIKDIOP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.86
Rot. Bonds4

About 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one

4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 66102587) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID66102587
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCc1ccc(C2CC(=O)NC2CC(C)C)o1
InChIInChI=1S/C14H21NO2/c1-4-10-5-6-13(17-10)11-8-14(16)15-12(11)7-9(2)3/h5-6,9,11-12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyNBRZJHXMIKDIOP-UHFFFAOYSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one (CID 66102587) is 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one is CCc1ccc(C2CC(=O)NC2CC(C)C)o1.
What is the InChIKey of 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is NBRZJHXMIKDIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-5-6-13(17-10)11-8-14(16)15-12(11)7-9(2)3/h5-6,9,11-12H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one?
4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylfuran-2-yl)-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 66102587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).