4-pyrrolidin-1-ylpyridine-3-carbaldehyde

C10H12N2O — CID 10607369

IUPAC4-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1cnccc1N1CCCC1
InChIInChI=1S/C10H12N2O/c13-8-9-7-11-4-3-10(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKeyKMCCBSZYOSUUNS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.49
Rot. Bonds2

About 4-pyrrolidin-1-ylpyridine-3-carbaldehyde

4-pyrrolidin-1-ylpyridine-3-carbaldehyde (PubChem CID 10607369) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpyridine-3-carbaldehyde
PubChem CID10607369
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4-pyrrolidin-1-ylpyridine-3-carbaldehyde
SMILESO=Cc1cnccc1N1CCCC1
InChIInChI=1S/C10H12N2O/c13-8-9-7-11-4-3-10(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKeyKMCCBSZYOSUUNS-UHFFFAOYSA-N
XLogP1.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nicotinamide
CID 936
3-Pyridinecarboxaldehyde
CID 10371
N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
5-Methylpyridine-3-carbaldehyde
CID 14141158
2-Fluoro-5-formylpyridine
CID 16414246
1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 877236
4-Methyl-3-pyridinecarboxamide
CID 95692
3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one
CID 5369165
N,N-Dimethylnicotinamide
CID 81444
Pyridinium, 3-(aminocarbonyl)-1-methyl-, iodide (1:1)
CID 72660

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The IUPAC name of 4-pyrrolidin-1-ylpyridine-3-carbaldehyde (CID 10607369) is 4-pyrrolidin-1-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The canonical SMILES for 4-pyrrolidin-1-ylpyridine-3-carbaldehyde is O=Cc1cnccc1N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylpyridine-3-carbaldehyde?
The InChIKey is KMCCBSZYOSUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-8-9-7-11-4-3-10(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-pyrrolidin-1-ylpyridine-3-carbaldehyde?
4-pyrrolidin-1-ylpyridine-3-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 10607369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).