1,3-dimethyl-2-oxoperimidine-6-carbaldehyde

C14H12N2O2 — CID 919421

IUPAC1,3-dimethyl-2-oxoperimidine-6-carbaldehyde
SMILESCN1C(=O)N(C)c2ccc(C=O)c3cccc1c23
InChIInChI=1S/C14H12N2O2/c1-15-11-5-3-4-10-9(8-17)6-7-12(13(10)11)16(2)14(15)18/h3-8H,1-2H3
InChIKeyPPDWWDSHIJMHKW-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.66
Rot. Bonds1

About 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde

1,3-dimethyl-2-oxoperimidine-6-carbaldehyde (PubChem CID 919421) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-2-oxoperimidine-6-carbaldehyde
PubChem CID919421
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1,3-dimethyl-2-oxoperimidine-6-carbaldehyde
SMILESCN1C(=O)N(C)c2ccc(C=O)c3cccc1c23
InChIInChI=1S/C14H12N2O2/c1-15-11-5-3-4-10-9(8-17)6-7-12(13(10)11)16(2)14(15)18/h3-8H,1-2H3
InChIKeyPPDWWDSHIJMHKW-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde?
The IUPAC name of 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde (CID 919421) is 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde is CN1C(=O)N(C)c2ccc(C=O)c3cccc1c23.
What is the InChIKey of 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde?
The InChIKey is PPDWWDSHIJMHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-15-11-5-3-4-10-9(8-17)6-7-12(13(10)11)16(2)14(15)18/h3-8H,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde?
1,3-dimethyl-2-oxoperimidine-6-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxoperimidine-6-carbaldehyde is sourced from PubChem (CID 919421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).