2-(furan-2-ylmethylidene)propanediamide

C8H8N2O3 — CID 2810456

IUPAC2-(furan-2-ylmethylidene)propanediamide
SMILESNC(=O)C(=Cc1ccco1)C(N)=O
InChIInChI=1S/C8H8N2O3/c9-7(11)6(8(10)12)4-5-2-1-3-13-5/h1-4H,(H2,9,11)(H2,10,12)
InChIKeyQMGFVMDYQRNGAZ-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.37
Rot. Bonds3

About 2-(furan-2-ylmethylidene)propanediamide

2-(furan-2-ylmethylidene)propanediamide (PubChem CID 2810456) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)propanediamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)propanediamide
PubChem CID2810456
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(furan-2-ylmethylidene)propanediamide
SMILESNC(=O)C(=Cc1ccco1)C(N)=O
InChIInChI=1S/C8H8N2O3/c9-7(11)6(8(10)12)4-5-2-1-3-13-5/h1-4H,(H2,9,11)(H2,10,12)
InChIKeyQMGFVMDYQRNGAZ-UHFFFAOYSA-N
XLogP-0.37
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)propanediamide?
The IUPAC name of 2-(furan-2-ylmethylidene)propanediamide (CID 2810456) is 2-(furan-2-ylmethylidene)propanediamide.
What is the SMILES notation for 2-(furan-2-ylmethylidene)propanediamide?
The canonical SMILES for 2-(furan-2-ylmethylidene)propanediamide is NC(=O)C(=Cc1ccco1)C(N)=O.
What is the InChIKey of 2-(furan-2-ylmethylidene)propanediamide?
The InChIKey is QMGFVMDYQRNGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-7(11)6(8(10)12)4-5-2-1-3-13-5/h1-4H,(H2,9,11)(H2,10,12).
What are the key properties of 2-(furan-2-ylmethylidene)propanediamide?
2-(furan-2-ylmethylidene)propanediamide has a molecular weight of 180.16 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)propanediamide is sourced from PubChem (CID 2810456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).