ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate

C10H15NO2 — CID 71376099

IUPACethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate
SMILESCCOC(=O)C=CC1=NCCCC1
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h6-7H,2-5,8H2,1H3
InChIKeyDLIVJOLQBFCEIB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.73
Rot. Bonds3

About ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate

ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate (PubChem CID 71376099) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate
PubChem CID71376099
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate
SMILESCCOC(=O)C=CC1=NCCCC1
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h6-7H,2-5,8H2,1H3
InChIKeyDLIVJOLQBFCEIB-UHFFFAOYSA-N
XLogP1.73
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2-chlorocyclohexen-1-yl)prop-2-enoate
CID 57360807
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
cyclohexanone;ethyl 2-oxoacetate
CID 88772549
ethyl (E)-3-(6-oxocyclohexen-1-yl)prop-2-enoate
CID 11830306
cyclohexane;ethyl (E)-3-(2,4-diamino-6-methylpyrimidin-5-yl)prop-2-enoate
CID 143641813
ethyl 3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoate
CID 75146663
ethyl (E)-3-(2,3-dihydro-1H-pyrrol-4-yl)prop-2-enoate
CID 170181231
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
ethyl (E)-3-(2,3-dihydrothiophen-4-yl)prop-2-enoate
CID 10487745
ethyl (E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enoate
CID 11608661
ethyl 3-(7-hydroxy-2,3-dihydro-1H-inden-4-yl)prop-2-enoate
CID 76832044

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate (CID 71376099) is ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate is CCOC(=O)C=CC1=NCCCC1.
What is the InChIKey of ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate?
The InChIKey is DLIVJOLQBFCEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-13-10(12)7-6-9-5-3-4-8-11-9/h6-7H,2-5,8H2,1H3.
What are the key properties of ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate?
ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate has a molecular weight of 181.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3,4,5-tetrahydropyridin-6-yl)prop-2-enoate is sourced from PubChem (CID 71376099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).