prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate

C12H15NO2 — CID 13382554

IUPACprop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1C=CC=CC1CC=C
InChIInChI=1S/C12H15NO2/c1-3-7-11-8-5-6-9-13(11)12(14)15-10-4-2/h3-6,8-9,11H,1-2,7,10H2
InChIKeyRWYJABQCYJDRQA-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.64
Rot. Bonds4

About prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate

prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate (PubChem CID 13382554) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
PubChem CID13382554
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameprop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
SMILESC=CCOC(=O)N1C=CC=CC1CC=C
InChIInChI=1S/C12H15NO2/c1-3-7-11-8-5-6-9-13(11)12(14)15-10-4-2/h3-6,8-9,11H,1-2,7,10H2
InChIKeyRWYJABQCYJDRQA-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.64
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

1(2h)-Pyridinecarboxylic acid,2-(2-propenyl)-,methyl ester
CID 13382552
methyl 2-ethylpyridine-1(2H)-carboxylate
CID 12853359
ethyl (5aR,9aS)-5a,9a-dihydro-1-benzazepine-1-carboxylate
CID 134892857
ethyl (3aR,7aR)-3a,7a-dihydroindole-1-carboxylate
CID 134915718
ethenyl 2-methyl-2H-pyridine-1-carboxylate
CID 134986100
7,8-dihydro-3H-pyrido[1,2-c][1,3]oxazin-1-one
CID 135082926
ethyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 354976
2,2,2-trichloroethyl 2-prop-2-enyl-2H-pyridine-1-carboxylate
CID 13382553
ethyl 2-methyl-2H-pyridine-1-carboxylate
CID 12955680
ethyl 2-ethyl-2H-pyridine-1-carboxylate
CID 12955681
ethyl 2,4-dimethyl-2H-pyridine-1-carboxylate
CID 13415533
ethyl 4-methoxy-2-methyl-2H-pyridine-1-carboxylate
CID 18711316

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate (CID 13382554) is prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate is C=CCOC(=O)N1C=CC=CC1CC=C.
What is the InChIKey of prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate?
The InChIKey is RWYJABQCYJDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-7-11-8-5-6-9-13(11)12(14)15-10-4-2/h3-6,8-9,11H,1-2,7,10H2.
What are the key properties of prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate?
prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-prop-2-enyl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 13382554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).