2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde

C11H14N2O — CID 102539047

IUPAC2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde
SMILESCc1ccnc(C2CCCN2C=O)c1
InChIInChI=1S/C11H14N2O/c1-9-4-5-12-10(7-9)11-3-2-6-13(11)8-14/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyXQFWQCRAFIJNPP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.68
Rot. Bonds2

About 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde

2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde (PubChem CID 102539047) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde
PubChem CID102539047
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde
SMILESCc1ccnc(C2CCCN2C=O)c1
InChIInChI=1S/C11H14N2O/c1-9-4-5-12-10(7-9)11-3-2-6-13(11)8-14/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyXQFWQCRAFIJNPP-UHFFFAOYSA-N
XLogP1.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
5-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 139714913
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;oxovanadium
CID 139924983
ethyl 3-[6-(1-formylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoate
CID 175656212
2-[6-(dimethylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102539774
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
2-[3,5-bis(4-methyl-2-pyridinyl)cyclohexyl]-4-methylpyridine
CID 25124332
trans-(1S,2R)-2-(4-methyl-2-pyridinyl)cyclohexan-1-ol
CID 102018395
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
CID 151121323
1-(4-methyl-2-pyridinyl)piperidine-2-carbaldehyde
CID 62663428

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde (CID 102539047) is 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde is Cc1ccnc(C2CCCN2C=O)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde?
The InChIKey is XQFWQCRAFIJNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-4-5-12-10(7-9)11-3-2-6-13(11)8-14/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde?
2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 102539047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).