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

C12H19NO2 — CID 141053851

IUPACprop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=CCC1C(C)C
InChIInChI=1S/C12H19NO2/c1-4-9-15-12(14)13-8-6-5-7-11(13)10(2)3/h4-6,10-11H,1,7-9H2,2-3H3
InChIKeyXVBKDFBJXSPMRD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.60
Rot. Bonds3

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

prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 141053851) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID141053851
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Nameprop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=CCC1C(C)C
InChIInChI=1S/C12H19NO2/c1-4-9-15-12(14)13-8-6-5-7-11(13)10(2)3/h4-6,10-11H,1,7-9H2,2-3H3
InChIKeyXVBKDFBJXSPMRD-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153289748
prop-2-enyl 2-(2-methylpropyl)-5-propan-2-ylpiperazine-1-carboxylate
CID 82247246
prop-2-enyl (2S,5S)-5-(hydroxymethyl)-4-(4-nitrophenyl)sulfonyl-2-propan-2-ylpiperazine-1-carboxylate
CID 102422638
prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate
CID 153289711
prop-2-enyl (2R,4R)-4-hydroxy-2-[(2S)-2-imidazol-1-ylpropyl]pyrrolidine-1-carboxylate
CID 56980657
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 112627490
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
CID 70468827
prop-2-enyl (6R)-6-propan-2-yl-4-(2-sulfanylidene-3H-1,3-thiazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 91112859
4-O-ethyl 1-O-prop-2-enyl (6S)-6-methyl-3,6-dihydro-2H-pyridine-1,4-dicarboxylate
CID 10912041
prop-2-enyl (2S,4S)-2-[3-(methylamino)-3-oxoprop-1-enyl]-4-sulfanylpyrrolidine-1-carboxylate
CID 57100421
prop-2-enyl 2-carbamoylpyrazolidine-1-carboxylate
CID 70521278
prop-2-enyl 2-aminopropanoate
CID 91515395

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 141053851) is prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CCOC(=O)N1CC=CCC1C(C)C.
What is the InChIKey of prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is XVBKDFBJXSPMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9-15-12(14)13-8-6-5-7-11(13)10(2)3/h4-6,10-11H,1,7-9H2,2-3H3.
What are the key properties of prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate?
prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 141053851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).