N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide

C13H20N2O2 — CID 94180370

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccoc1C
InChIInChI=1S/C13H20N2O2/c1-3-15-7-4-5-11(15)9-14-13(16)12-6-8-17-10(12)2/h6,8,11H,3-5,7,9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyWCLMIKAGTUGYGG-LLVKDONJSA-N
MW236.31 g/mol
LogP1.80
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 94180370) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID94180370
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ccoc1C
InChIInChI=1S/C13H20N2O2/c1-3-15-7-4-5-11(15)9-14-13(16)12-6-8-17-10(12)2/h6,8,11H,3-5,7,9H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyWCLMIKAGTUGYGG-LLVKDONJSA-N
XLogP1.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide (CID 94180370) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1ccoc1C.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is WCLMIKAGTUGYGG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-7-4-5-11(15)9-14-13(16)12-6-8-17-10(12)2/h6,8,11H,3-5,7,9H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 94180370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).