N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide

C9H11N3O2 — CID 169464888

IUPACN-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C9H11N3O2/c1-7(13)11-4-2-3-8-5-10-6-12-9(8)14/h2-3,5-6H,4H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyFTMIZVGBERAITC-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.08
Rot. Bonds3

About N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide

N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide (PubChem CID 169464888) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
PubChem CID169464888
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC NameN-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc[nH]c1=O
InChIInChI=1S/C9H11N3O2/c1-7(13)11-4-2-3-8-5-10-6-12-9(8)14/h2-3,5-6H,4H2,1H3,(H,11,13)(H,10,12,14)
InChIKeyFTMIZVGBERAITC-UHFFFAOYSA-N
XLogP-0.08
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide (CID 169464888) is N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc[nH]c1=O.
What is the InChIKey of N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
The InChIKey is FTMIZVGBERAITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(13)11-4-2-3-8-5-10-6-12-9(8)14/h2-3,5-6H,4H2,1H3,(H,11,13)(H,10,12,14).
What are the key properties of N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide?
N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide has a molecular weight of 193.21 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).