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

C10H11NO2 — CID 121208401

IUPAC1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1cccn(CC2CC2)c1=O
InChIInChI=1S/C10H11NO2/c12-7-9-2-1-5-11(10(9)13)6-8-3-4-8/h1-2,5,7-8H,3-4,6H2
InChIKeyZDZRTYQFHDNTCD-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.07
Rot. Bonds3

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

1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde (PubChem CID 121208401) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde
PubChem CID121208401
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde
SMILESO=Cc1cccn(CC2CC2)c1=O
InChIInChI=1S/C10H11NO2/c12-7-9-2-1-5-11(10(9)13)6-8-3-4-8/h1-2,5,7-8H,3-4,6H2
InChIKeyZDZRTYQFHDNTCD-UHFFFAOYSA-N
XLogP1.07
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde (CID 121208401) is 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde is O=Cc1cccn(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde?
The InChIKey is ZDZRTYQFHDNTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-7-9-2-1-5-11(10(9)13)6-8-3-4-8/h1-2,5,7-8H,3-4,6H2.
What are the key properties of 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde?
1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-oxopyridine-3-carbaldehyde is sourced from PubChem (CID 121208401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).