methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate

C12H14N2O3 — CID 165461124

IUPACmethyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ccc(C=O)nc1
InChIInChI=1S/C12H14N2O3/c1-17-12(16)11-3-2-6-14(11)10-5-4-9(8-15)13-7-10/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyJJUYFSRHJBJOGY-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.04
Rot. Bonds3

About methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate

methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate (PubChem CID 165461124) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate
PubChem CID165461124
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1ccc(C=O)nc1
InChIInChI=1S/C12H14N2O3/c1-17-12(16)11-3-2-6-14(11)10-5-4-9(8-15)13-7-10/h4-5,7-8,11H,2-3,6H2,1H3
InChIKeyJJUYFSRHJBJOGY-UHFFFAOYSA-N
XLogP1.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
methyl 1-(6-carbamothioyl-3-pyridinyl)piperidine-2-carboxylate
CID 115534797
methyl (2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylate
CID 96706526
methyl 1-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 62005497
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-(4-methylsulfonylphenyl)piperidine-2-carboxylate
CID 115538364
methyl 1-(4-cyanophenyl)piperidine-2-carboxylate
CID 113330492
3-[(2S)-2-methoxycarbonylpyrrolidin-1-yl]benzoic acid
CID 96706561
methyl 1-(2-amino-4-pyridinyl)piperidine-2-carboxylate
CID 113368331
methyl 1-(2-aminophenyl)pyrrolidine-2-carboxylate
CID 53402483
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
methyl 1-(5-carbamothioyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 43473976

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate (CID 165461124) is methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1ccc(C=O)nc1.
What is the InChIKey of methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate?
The InChIKey is JJUYFSRHJBJOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-12(16)11-3-2-6-14(11)10-5-4-9(8-15)13-7-10/h4-5,7-8,11H,2-3,6H2,1H3.
What are the key properties of methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate?
methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-formyl-3-pyridinyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 165461124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).