ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate

C11H13N3O5 — CID 56683948

IUPACethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate
SMILESC=CCn1cc(C(=O)NC(=O)OCC)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c1-3-5-14-6-7(8(15)12-10(14)17)9(16)13-11(18)19-4-2/h3,6H,1,4-5H2,2H3,(H,12,15,17)(H,13,16,18)
InChIKeyJJARXOAKPAHLGA-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.39
Rot. Bonds4

About ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate

ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate (PubChem CID 56683948) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate
PubChem CID56683948
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Nameethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate
SMILESC=CCn1cc(C(=O)NC(=O)OCC)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O5/c1-3-5-14-6-7(8(15)12-10(14)17)9(16)13-11(18)19-4-2/h3,6H,1,4-5H2,2H3,(H,12,15,17)(H,13,16,18)
InChIKeyJJARXOAKPAHLGA-UHFFFAOYSA-N
XLogP-0.39
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate?
The IUPAC name of ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate (CID 56683948) is ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate.
What is the SMILES notation for ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate?
The canonical SMILES for ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate is C=CCn1cc(C(=O)NC(=O)OCC)c(=O)[nH]c1=O.
What is the InChIKey of ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate?
The InChIKey is JJARXOAKPAHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-3-5-14-6-7(8(15)12-10(14)17)9(16)13-11(18)19-4-2/h3,6H,1,4-5H2,2H3,(H,12,15,17)(H,13,16,18).
What are the key properties of ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate?
ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate has a molecular weight of 267.24 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonyl)carbamate is sourced from PubChem (CID 56683948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).