N,N,5-trimethylfuran-3-carboxamide

C8H11NO2 — CID 45123510

IUPACN,N,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)co1
InChIInChI=1S/C8H11NO2/c1-6-4-7(5-11-6)8(10)9(2)3/h4-5H,1-3H3
InChIKeyHRXCYSSZVUFCBP-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.29
Rot. Bonds1

About N,N,5-trimethylfuran-3-carboxamide

N,N,5-trimethylfuran-3-carboxamide (PubChem CID 45123510) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N,N,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethylfuran-3-carboxamide
PubChem CID45123510
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN,N,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)C)co1
InChIInChI=1S/C8H11NO2/c1-6-4-7(5-11-6)8(10)9(2)3/h4-5H,1-3H3
InChIKeyHRXCYSSZVUFCBP-UHFFFAOYSA-N
XLogP1.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethylfuran-3-carboxamide?
The IUPAC name of N,N,5-trimethylfuran-3-carboxamide (CID 45123510) is N,N,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N,N,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N,N,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)C)co1.
What is the InChIKey of N,N,5-trimethylfuran-3-carboxamide?
The InChIKey is HRXCYSSZVUFCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-7(5-11-6)8(10)9(2)3/h4-5H,1-3H3.
What are the key properties of N,N,5-trimethylfuran-3-carboxamide?
N,N,5-trimethylfuran-3-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 45123510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).