5-(aminomethyl)furan-2-carboxamide

C6H8N2O2 — CID 23070132

IUPAC5-(aminomethyl)furan-2-carboxamide
SMILESNCc1ccc(C(N)=O)o1
InChIInChI=1S/C6H8N2O2/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H2,8,9)
InChIKeyJTTFWLPDBVLKEB-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.16
Rot. Bonds2

About 5-(aminomethyl)furan-2-carboxamide

5-(aminomethyl)furan-2-carboxamide (PubChem CID 23070132) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-(aminomethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)furan-2-carboxamide
PubChem CID23070132
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name5-(aminomethyl)furan-2-carboxamide
SMILESNCc1ccc(C(N)=O)o1
InChIInChI=1S/C6H8N2O2/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H2,8,9)
InChIKeyJTTFWLPDBVLKEB-UHFFFAOYSA-N
XLogP-0.16
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)furan-2-carboxamide (CID 23070132) is 5-(aminomethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)furan-2-carboxamide is NCc1ccc(C(N)=O)o1.
What is the InChIKey of 5-(aminomethyl)furan-2-carboxamide?
The InChIKey is JTTFWLPDBVLKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H2,8,9).
What are the key properties of 5-(aminomethyl)furan-2-carboxamide?
5-(aminomethyl)furan-2-carboxamide has a molecular weight of 140.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)furan-2-carboxamide is sourced from PubChem (CID 23070132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).