prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate

C10H15NO3 — CID 153289748

IUPACprop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=CCC1OC
InChIInChI=1S/C10H15NO3/c1-3-8-14-10(12)11-7-5-4-6-9(11)13-2/h3-5,9H,1,6-8H2,2H3
InChIKeyNTBNURZQSIVDMU-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.54
Rot. Bonds3

About prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate

prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 153289748) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID153289748
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameprop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=CCC1OC
InChIInChI=1S/C10H15NO3/c1-3-8-14-10(12)11-7-5-4-6-9(11)13-2/h3-5,9H,1,6-8H2,2H3
InChIKeyNTBNURZQSIVDMU-UHFFFAOYSA-N
XLogP1.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 141053851
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prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate
CID 153289711
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prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
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3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
3-O-ethyl 1-O-prop-2-enyl (6S)-4-hydroxy-6-methylpiperidine-1,3-dicarboxylate
CID 86592536
prop-2-enyl 2-methyl-1,4-diazepane-1-carboxylate
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4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate
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CID 139678210

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate (CID 153289748) is prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCOC(=O)N1CC=CCC1OC.
What is the InChIKey of prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is NTBNURZQSIVDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8-14-10(12)11-7-5-4-6-9(11)13-2/h3-5,9H,1,6-8H2,2H3.
What are the key properties of prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate?
prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 153289748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).