(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane

C11H11N3O3 — CID 142907203

IUPAC(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane
SMILESC.O=C/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H7N3O3.CH4/c14-3-1-2-6-4-7-8(11-5-6)12-10(16)13-9(7)15;/h1-5H,(H2,11,12,13,15,16);1H4/b2-1+;
InChIKeyRUIDDCIXDWKWAI-TYYBGVCCSA-N
MW233.23 g/mol
LogP0.46
Rot. Bonds2

About (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane

(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane (PubChem CID 142907203) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane.

Molecular Properties

Compound Name(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane
PubChem CID142907203
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane
SMILESC.O=C/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C10H7N3O3.CH4/c14-3-1-2-6-4-7-8(11-5-6)12-10(16)13-9(7)15;/h1-5H,(H2,11,12,13,15,16);1H4/b2-1+;
InChIKeyRUIDDCIXDWKWAI-TYYBGVCCSA-N
XLogP0.46
TPSA95.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane?
The IUPAC name of (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane (CID 142907203) is (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane.
What is the SMILES notation for (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane?
The canonical SMILES for (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane is C.O=C/C=C/c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane?
The InChIKey is RUIDDCIXDWKWAI-TYYBGVCCSA-N. The full InChI is InChI=1S/C10H7N3O3.CH4/c14-3-1-2-6-4-7-8(11-5-6)12-10(16)13-9(7)15;/h1-5H,(H2,11,12,13,15,16);1H4/b2-1+;.
What are the key properties of (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane?
(E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane has a molecular weight of 233.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-6-yl)prop-2-enal;methane is sourced from PubChem (CID 142907203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).