3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde

C11H14N2O — CID 174681214

IUPAC3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
SMILESCN1CCCC1c1cccnc1C=O
InChIInChI=1S/C11H14N2O/c1-13-7-3-5-11(13)9-4-2-6-12-10(9)8-14/h2,4,6,8,11H,3,5,7H2,1H3
InChIKeyOIMKUVOUXMWSFC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.66
Rot. Bonds2

About 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde

3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde (PubChem CID 174681214) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
PubChem CID174681214
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde
SMILESCN1CCCC1c1cccnc1C=O
InChIInChI=1S/C11H14N2O/c1-13-7-3-5-11(13)9-4-2-6-12-10(9)8-14/h2,4,6,8,11H,3,5,7H2,1H3
InChIKeyOIMKUVOUXMWSFC-UHFFFAOYSA-N
XLogP1.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.66
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 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde (CID 174681214) is 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde is CN1CCCC1c1cccnc1C=O.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde?
The InChIKey is OIMKUVOUXMWSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-7-3-5-11(13)9-4-2-6-12-10(9)8-14/h2,4,6,8,11H,3,5,7H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde?
3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 174681214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).