2-methyl-5-(2-methylpropyl)furan-3-carboxamide

C10H15NO2 — CID 674000

IUPAC2-methyl-5-(2-methylpropyl)furan-3-carboxamide
SMILESCc1oc(CC(C)C)cc1C(N)=O
InChIInChI=1S/C10H15NO2/c1-6(2)4-8-5-9(10(11)12)7(3)13-8/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeyIWDMZVRMZPTSRI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-5-(2-methylpropyl)furan-3-carboxamide

2-methyl-5-(2-methylpropyl)furan-3-carboxamide (PubChem CID 674000) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(2-methylpropyl)furan-3-carboxamide
PubChem CID674000
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-methyl-5-(2-methylpropyl)furan-3-carboxamide
SMILESCc1oc(CC(C)C)cc1C(N)=O
InChIInChI=1S/C10H15NO2/c1-6(2)4-8-5-9(10(11)12)7(3)13-8/h5-6H,4H2,1-3H3,(H2,11,12)
InChIKeyIWDMZVRMZPTSRI-UHFFFAOYSA-N
XLogP1.89
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-5-(2-methylpropyl)furan-3-carboxamide (CID 674000) is 2-methyl-5-(2-methylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-5-(2-methylpropyl)furan-3-carboxamide is Cc1oc(CC(C)C)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
The InChIKey is IWDMZVRMZPTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(2)4-8-5-9(10(11)12)7(3)13-8/h5-6H,4H2,1-3H3,(H2,11,12).
What are the key properties of 2-methyl-5-(2-methylpropyl)furan-3-carboxamide?
2-methyl-5-(2-methylpropyl)furan-3-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpropyl)furan-3-carboxamide is sourced from PubChem (CID 674000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).