2-methylfuran-3-carboxamide

C6H7NO2 — CID 10772974

IUPAC2-methylfuran-3-carboxamide
SMILESCc1occc1C(N)=O
InChIInChI=1S/C6H7NO2/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H2,7,8)
InChIKeyZTXBBUFJNINBPD-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.69
Rot. Bonds1

About 2-methylfuran-3-carboxamide

2-methylfuran-3-carboxamide (PubChem CID 10772974) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-methylfuran-3-carboxamide
PubChem CID10772974
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2-methylfuran-3-carboxamide
SMILESCc1occc1C(N)=O
InChIInChI=1S/C6H7NO2/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H2,7,8)
InChIKeyZTXBBUFJNINBPD-UHFFFAOYSA-N
XLogP0.69
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylfuran-3-carboxamide?
The IUPAC name of 2-methylfuran-3-carboxamide (CID 10772974) is 2-methylfuran-3-carboxamide.
What is the SMILES notation for 2-methylfuran-3-carboxamide?
The canonical SMILES for 2-methylfuran-3-carboxamide is Cc1occc1C(N)=O.
What is the InChIKey of 2-methylfuran-3-carboxamide?
The InChIKey is ZTXBBUFJNINBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H2,7,8).
What are the key properties of 2-methylfuran-3-carboxamide?
2-methylfuran-3-carboxamide has a molecular weight of 125.13 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran-3-carboxamide is sourced from PubChem (CID 10772974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).