Molecular hydrogen;prop-2-enamide

C₃H₇NO — CID 156651584

About Molecular hydrogen;prop-2-enamide

Molecular hydrogen;prop-2-enamide (PubChem CID 156651584) has the molecular formula C₃H₇NO and a molecular weight of 73.09 g/mol. Its IUPAC name is molecular hydrogen;prop-2-enamide.

Molecular Properties

• Compound Name: Molecular hydrogen;prop-2-enamide
• PubChem CID: 156651584
• Molecular Formula: C₃H₇NO
• Molecular Weight: 73.09 g/mol
• Exact Mass: 73.05
• IUPAC Name: molecular hydrogen;prop-2-enamide
• SMILES: C=CC(N)=O.[H][H]
• InChI: InChI=1S/C3H5NO.H2/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H
• InChIKey: VXFNWZDTNIEWPU-UHFFFAOYSA-N
• XLogP: -0.10
• TPSA: 43.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 5
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	73.09
LogP ≤ 5	-0.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Molecular hydrogen;prop-2-enamide?

The IUPAC name of Molecular hydrogen;prop-2-enamide (CID 156651584) is molecular hydrogen;prop-2-enamide.

What is the SMILES notation for Molecular hydrogen;prop-2-enamide?

The canonical SMILES for Molecular hydrogen;prop-2-enamide is C=CC(N)=O.[H][H].

What is the InChIKey of Molecular hydrogen;prop-2-enamide?

The InChIKey is VXFNWZDTNIEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.H2/c1-2-3(4)5;/h2H,1H2,(H2,4,5);1H.

What are the key properties of Molecular hydrogen;prop-2-enamide?

Molecular hydrogen;prop-2-enamide has a molecular weight of 73.09 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Molecular hydrogen;prop-2-enamide is sourced from PubChem (CID 156651584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156651584 — identifiers, structure, computed properties (public domain)

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