3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide

C7H7N3O2 — CID 169481393

IUPAC3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc[nH]c1=O
InChIInChI=1S/C7H7N3O2/c8-6(11)2-1-5-3-9-4-10-7(5)12/h1-4H,(H2,8,11)(H,9,10,12)
InChIKeyJTQOUYOAMLFAMB-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.73
Rot. Bonds2

About 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide

3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (PubChem CID 169481393) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
PubChem CID169481393
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cnc[nH]c1=O
InChIInChI=1S/C7H7N3O2/c8-6(11)2-1-5-3-9-4-10-7(5)12/h1-4H,(H2,8,11)(H,9,10,12)
InChIKeyJTQOUYOAMLFAMB-UHFFFAOYSA-N
XLogP-0.73
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
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 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The IUPAC name of 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide (CID 169481393) is 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide.
What is the SMILES notation for 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The canonical SMILES for 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide is NC(=O)C=Cc1cnc[nH]c1=O.
What is the InChIKey of 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
The InChIKey is JTQOUYOAMLFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c8-6(11)2-1-5-3-9-4-10-7(5)12/h1-4H,(H2,8,11)(H,9,10,12).
What are the key properties of 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide?
3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide has a molecular weight of 165.15 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enamide is sourced from PubChem (CID 169481393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).