N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide

C13H18N2O2 — CID 65153523

IUPACN-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C#N)C(C)C)c1C
InChIInChI=1S/C13H18N2O2/c1-7(2)11(6-14)15-13(16)12-8(3)9(4)17-10(12)5/h7,11H,1-5H3,(H,15,16)
InChIKeyTVIXVOZACXFKOT-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.48
Rot. Bonds3

About N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide

N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 65153523) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID65153523
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C#N)C(C)C)c1C
InChIInChI=1S/C13H18N2O2/c1-7(2)11(6-14)15-13(16)12-8(3)9(4)17-10(12)5/h7,11H,1-5H3,(H,15,16)
InChIKeyTVIXVOZACXFKOT-UHFFFAOYSA-N
XLogP2.48
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide (CID 65153523) is N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC(C#N)C(C)C)c1C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is TVIXVOZACXFKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7(2)11(6-14)15-13(16)12-8(3)9(4)17-10(12)5/h7,11H,1-5H3,(H,15,16).
What are the key properties of N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 65153523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).