4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

C13H13N3O2 — CID 794781

IUPAC4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCCC2)nc2ccccn2c1=O
InChIInChI=1S/C13H13N3O2/c17-9-10-12(15-6-3-4-7-15)14-11-5-1-2-8-16(11)13(10)18/h1-2,5,8-9H,3-4,6-7H2
InChIKeyRHNGZTCFFBHLQN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.11
Rot. Bonds2

About 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 794781) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID794781
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1c(N2CCCC2)nc2ccccn2c1=O
InChIInChI=1S/C13H13N3O2/c17-9-10-12(15-6-3-4-7-15)14-11-5-1-2-8-16(11)13(10)18/h1-2,5,8-9H,3-4,6-7H2
InChIKeyRHNGZTCFFBHLQN-UHFFFAOYSA-N
XLogP1.11
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 794781) is 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is O=Cc1c(N2CCCC2)nc2ccccn2c1=O.
What is the InChIKey of 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is RHNGZTCFFBHLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-9-10-12(15-6-3-4-7-15)14-11-5-1-2-8-16(11)13(10)18/h1-2,5,8-9H,3-4,6-7H2.
What are the key properties of 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 243.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 794781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).