5-tert-butyl-2-methylfuran-3-carboxamide

C10H15NO2 — CID 704149

IUPAC5-tert-butyl-2-methylfuran-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C10H15NO2/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H2,11,12)
InChIKeyJERNMWLTDZPEAE-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.98
Rot. Bonds1

About 5-tert-butyl-2-methylfuran-3-carboxamide

5-tert-butyl-2-methylfuran-3-carboxamide (PubChem CID 704149) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-tert-butyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-2-methylfuran-3-carboxamide
PubChem CID704149
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-tert-butyl-2-methylfuran-3-carboxamide
SMILESCc1oc(C(C)(C)C)cc1C(N)=O
InChIInChI=1S/C10H15NO2/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H2,11,12)
InChIKeyJERNMWLTDZPEAE-UHFFFAOYSA-N
XLogP1.98
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylfuran-3-carboxamide?
The IUPAC name of 5-tert-butyl-2-methylfuran-3-carboxamide (CID 704149) is 5-tert-butyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-tert-butyl-2-methylfuran-3-carboxamide is Cc1oc(C(C)(C)C)cc1C(N)=O.
What is the InChIKey of 5-tert-butyl-2-methylfuran-3-carboxamide?
The InChIKey is JERNMWLTDZPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-7(9(11)12)5-8(13-6)10(2,3)4/h5H,1-4H3,(H2,11,12).
What are the key properties of 5-tert-butyl-2-methylfuran-3-carboxamide?
5-tert-butyl-2-methylfuran-3-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 704149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).