4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

C12H17NO4 — CID 11107435

IUPAC4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CC=C(C(=O)OC)C[C@H]1C
InChIInChI=1S/C12H17NO4/c1-4-7-17-12(15)13-6-5-10(8-9(13)2)11(14)16-3/h4-5,9H,1,6-8H2,2-3H3/t9-/m1/s1
InChIKeyNCWLRWJNWHFYMG-SECBINFHSA-N
MW239.27 g/mol
LogP1.50
Rot. Bonds3

About 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate

4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate (PubChem CID 11107435) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
PubChem CID11107435
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
SMILESC=CCOC(=O)N1CC=C(C(=O)OC)C[C@H]1C
InChIInChI=1S/C12H17NO4/c1-4-7-17-12(15)13-6-5-10(8-9(13)2)11(14)16-3/h4-5,9H,1,6-8H2,2-3H3/t9-/m1/s1
InChIKeyNCWLRWJNWHFYMG-SECBINFHSA-N
XLogP1.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate with MolForge

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Related Compounds

1-Tert-butyl 4-methyl 1,2,3,6-tetrahydropyridine-1,4-dicarboxylate
CID 11806782
4-O-methyl 1-O-prop-2-enyl (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 11436791
methyl (2S)-2-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 58782059
(2S)-2-(fluoromethyl)-4-methoxycarbonyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91305791
(2S)-2-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91464380
4-O-tert-butyl 1-O-prop-2-enyl (2S)-2-(fluoromethyl)-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 145783140
8-O-ethyl 2-O,3-O-dimethyl 8-azabicyclo[2.2.2]octa-2,5-diene-2,3,8-tricarboxylate
CID 321772
1-allyl 4-tert-butyl (2R)-2-methyl-3,6-dihydro-1,4(2H)-pyridinedicarboxylate
CID 10902032
1-allyl 4-ethyl (6S)-6-methyl-3,6-dihydro-1,4(2H)-pyridinedicarboxylate
CID 10912041
1-allyl 4-methyl (2S)-2-(methoxymethyl)-3,6-dihydro-1,4(2H)-pyridinedicarboxylate
CID 11219404
5-O-methyl 1-O-prop-2-enyl (2S)-2-methyl-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
CID 11287880
4-O-methyl 1-O-prop-2-enyl (2S)-2-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 11334645

Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The IUPAC name of 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate (CID 11107435) is 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The canonical SMILES for 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate is C=CCOC(=O)N1CC=C(C(=O)OC)C[C@H]1C.
What is the InChIKey of 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
The InChIKey is NCWLRWJNWHFYMG-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-7-17-12(15)13-6-5-10(8-9(13)2)11(14)16-3/h4-5,9H,1,6-8H2,2-3H3/t9-/m1/s1.
What are the key properties of 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate?
4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate has a molecular weight of 239.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 1-O-prop-2-enyl (2R)-2-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate is sourced from PubChem (CID 11107435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).