1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde

C10H13NO3 — CID 82526388

IUPAC1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
SMILESCOCCCn1cccc(C=O)c1=O
InChIInChI=1S/C10H13NO3/c1-14-7-3-6-11-5-2-4-9(8-12)10(11)13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyXYRCQNJXMIOTBR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.70
Rot. Bonds5

About 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde

1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 82526388) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
PubChem CID82526388
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde
SMILESCOCCCn1cccc(C=O)c1=O
InChIInChI=1S/C10H13NO3/c1-14-7-3-6-11-5-2-4-9(8-12)10(11)13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyXYRCQNJXMIOTBR-UHFFFAOYSA-N
XLogP0.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde (CID 82526388) is 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde is COCCCn1cccc(C=O)c1=O.
What is the InChIKey of 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is XYRCQNJXMIOTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-7-3-6-11-5-2-4-9(8-12)10(11)13/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde?
1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 82526388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).