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

C14H15N3O2 — CID 800392

IUPAC9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCCC3)nc12
InChIInChI=1S/C14H15N3O2/c1-10-5-4-8-17-12(10)15-13(11(9-18)14(17)19)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKBDLCXLVGXYOGD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.42
Rot. Bonds2

About 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde

9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 800392) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID800392
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(N3CCCC3)nc12
InChIInChI=1S/C14H15N3O2/c1-10-5-4-8-17-12(10)15-13(11(9-18)14(17)19)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKBDLCXLVGXYOGD-UHFFFAOYSA-N
XLogP1.42
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.42
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 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 800392) is 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(N3CCCC3)nc12.
What is the InChIKey of 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is KBDLCXLVGXYOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-5-4-8-17-12(10)15-13(11(9-18)14(17)19)16-6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde?
9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4-oxo-2-pyrrolidin-1-ylpyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 800392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).