2-pyrimidin-2-ylprop-2-enamide

C7H7N3O — CID 90802444

IUPAC2-pyrimidin-2-ylprop-2-enamide
SMILESC=C(C(N)=O)c1ncccn1
InChIInChI=1S/C7H7N3O/c1-5(6(8)11)7-9-3-2-4-10-7/h2-4H,1H2,(H2,8,11)
InChIKeyLFTUVOPJRPCRMU-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.02
Rot. Bonds2

About 2-pyrimidin-2-ylprop-2-enamide

2-pyrimidin-2-ylprop-2-enamide (PubChem CID 90802444) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-pyrimidin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylprop-2-enamide
PubChem CID90802444
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-pyrimidin-2-ylprop-2-enamide
SMILESC=C(C(N)=O)c1ncccn1
InChIInChI=1S/C7H7N3O/c1-5(6(8)11)7-9-3-2-4-10-7/h2-4H,1H2,(H2,8,11)
InChIKeyLFTUVOPJRPCRMU-UHFFFAOYSA-N
XLogP-0.02
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylprop-2-enamide?
The IUPAC name of 2-pyrimidin-2-ylprop-2-enamide (CID 90802444) is 2-pyrimidin-2-ylprop-2-enamide.
What is the SMILES notation for 2-pyrimidin-2-ylprop-2-enamide?
The canonical SMILES for 2-pyrimidin-2-ylprop-2-enamide is C=C(C(N)=O)c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylprop-2-enamide?
The InChIKey is LFTUVOPJRPCRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-5(6(8)11)7-9-3-2-4-10-7/h2-4H,1H2,(H2,8,11).
What are the key properties of 2-pyrimidin-2-ylprop-2-enamide?
2-pyrimidin-2-ylprop-2-enamide has a molecular weight of 149.15 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylprop-2-enamide is sourced from PubChem (CID 90802444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).