ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate

C11H17NO2 — CID 121224817

IUPACethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OCC)CC1
InChIInChI=1S/C11H17NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h3,6,8,10H,1,4-5,7,9H2,2H3
InChIKeyPQFOPIVKNIHTAL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.55
Rot. Bonds3

About ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate

ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 121224817) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID121224817
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OCC)CC1
InChIInChI=1S/C11H17NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h3,6,8,10H,1,4-5,7,9H2,2H3
InChIKeyPQFOPIVKNIHTAL-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.55
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, 3,4-dihydro-, ethyl ester
CID 10997267
tert-butyl 4-ethyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 14868070
Propan-2-yl 4-ethenylpiperidine-1-carboxylate
CID 57930119
2-Methylpropyl 3-ethenylpiperidine-1-carboxylate
CID 68290239
ethyl 4-isopropyl-3-methylpyridine-1(4H)-carboxylate
CID 90317966
tert-butyl 4-acetyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 90698689
ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate
CID 126539692
ethyl N-ethenyl-N-[(6E)-5-methylnona-6,8-dienyl]carbamate
CID 137457943
tert-butyl N-(3-ethylpent-4-enyl)-N-methylcarbamate
CID 138497987
Ethyl 4,4-diethylpyridine-1-carboxylate
CID 154423306
tert-butyl 4-acetyl-3,4-dihydro-2H-pyridine-1-carboxylate;ethane
CID 156721985
butyl 3,4-dihydro-2H-pyridine-1-carboxylate
CID 162102120

Frequently Asked Questions

What is the IUPAC name of ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 121224817) is ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate is C=CCC1C=CN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PQFOPIVKNIHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-10-6-8-12(9-7-10)11(13)14-4-2/h3,6,8,10H,1,4-5,7,9H2,2H3.
What are the key properties of ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate?
ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 195.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 121224817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).