2-formamidopropanamide

C4H8N2O2 — CID 23165967

IUPAC2-formamidopropanamide
SMILESCC(NC=O)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-3(4(5)8)6-2-7/h2-3H,1H3,(H2,5,8)(H,6,7)
InChIKeyOHBKKAYQVRQZCD-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.39
Rot. Bonds3

About 2-formamidopropanamide

2-formamidopropanamide (PubChem CID 23165967) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-formamidopropanamide.

Molecular Properties

Compound Name2-formamidopropanamide
PubChem CID23165967
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-formamidopropanamide
SMILESCC(NC=O)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-3(4(5)8)6-2-7/h2-3H,1H3,(H2,5,8)(H,6,7)
InChIKeyOHBKKAYQVRQZCD-UHFFFAOYSA-N
XLogP-1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formamidopropanamide?
The IUPAC name of 2-formamidopropanamide (CID 23165967) is 2-formamidopropanamide.
What is the SMILES notation for 2-formamidopropanamide?
The canonical SMILES for 2-formamidopropanamide is CC(NC=O)C(N)=O.
What is the InChIKey of 2-formamidopropanamide?
The InChIKey is OHBKKAYQVRQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(4(5)8)6-2-7/h2-3H,1H3,(H2,5,8)(H,6,7).
What are the key properties of 2-formamidopropanamide?
2-formamidopropanamide has a molecular weight of 116.12 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidopropanamide is sourced from PubChem (CID 23165967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).