5-(hydroxymethyl)furan-2-carboxamide

C6H7NO3 — CID 642140

IUPAC5-(hydroxymethyl)furan-2-carboxamide
SMILESNC(=O)c1ccc(CO)o1
InChIInChI=1S/C6H7NO3/c7-6(9)5-2-1-4(3-8)10-5/h1-2,8H,3H2,(H2,7,9)
InChIKeyKNWWOHSNOPLKSS-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.13
Rot. Bonds2

About 5-(hydroxymethyl)furan-2-carboxamide

5-(hydroxymethyl)furan-2-carboxamide (PubChem CID 642140) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-(hydroxymethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)furan-2-carboxamide
PubChem CID642140
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-(hydroxymethyl)furan-2-carboxamide
SMILESNC(=O)c1ccc(CO)o1
InChIInChI=1S/C6H7NO3/c7-6(9)5-2-1-4(3-8)10-5/h1-2,8H,3H2,(H2,7,9)
InChIKeyKNWWOHSNOPLKSS-UHFFFAOYSA-N
XLogP-0.13
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)furan-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)furan-2-carboxamide (CID 642140) is 5-(hydroxymethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)furan-2-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)furan-2-carboxamide is NC(=O)c1ccc(CO)o1.
What is the InChIKey of 5-(hydroxymethyl)furan-2-carboxamide?
The InChIKey is KNWWOHSNOPLKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c7-6(9)5-2-1-4(3-8)10-5/h1-2,8H,3H2,(H2,7,9).
What are the key properties of 5-(hydroxymethyl)furan-2-carboxamide?
5-(hydroxymethyl)furan-2-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)furan-2-carboxamide is sourced from PubChem (CID 642140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).