[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate

C15H21NO3 — CID 23568786

IUPAC[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
SMILESC/C=C/C(C)OC(=O)/C=C/C1=CCCN(C(C)=O)C1
InChIInChI=1S/C15H21NO3/c1-4-6-12(2)19-15(18)9-8-14-7-5-10-16(11-14)13(3)17/h4,6-9,12H,5,10-11H2,1-3H3/b6-4+,9-8+
InChIKeyCMAAGTIQYANCCI-ICNYKPIKSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds4

About [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate

[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate (PubChem CID 23568786) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate.

Molecular Properties

Compound Name[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
PubChem CID23568786
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
SMILESC/C=C/C(C)OC(=O)/C=C/C1=CCCN(C(C)=O)C1
InChIInChI=1S/C15H21NO3/c1-4-6-12(2)19-15(18)9-8-14-7-5-10-16(11-14)13(3)17/h4,6-9,12H,5,10-11H2,1-3H3/b6-4+,9-8+
InChIKeyCMAAGTIQYANCCI-ICNYKPIKSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z,2R)-5-oxohex-3-en-2-yl] (E)-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
CID 58630625
[(E)-pent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
CID 20709372
1-(5-bromo-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 130841879
[(Z,2R)-5-butoxy-5-hydroxypent-3-en-2-yl] (E)-3-(cyclohexen-1-yl)prop-2-enoate
CID 66696465
[(2R)-but-3-en-2-yl] (E)-3-[5-(dihydroxyamino)cyclohexen-1-yl]prop-2-enoate
CID 88912314
methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53261133
tert-butyl (2S,6S)-2-[(1E,3Z,5S)-5-[(E)-3-(cyclohexen-1-yl)prop-2-enoyl]oxyhexa-1,3-dienyl]-6-methylpiperidine-1-carboxylate
CID 11774728
benzyl (Z)-4-[(E)-3-[(5R)-5-(ethoxycarbonylamino)cyclohexen-1-yl]prop-2-enoyl]oxypent-2-enoate
CID 59426502
4-[(E)-3-(5-methylcyclohexen-1-yl)prop-2-enoyl]oxypent-2-ynoic acid
CID 163626387
[(2R)-5-(1,3-benzothiazol-2-yl)-5-oxopent-3-en-2-yl] 3-(5-nitrocyclohexen-1-yl)prop-2-enoate
CID 91379047
1-[4-[[1-(3-methylbutyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperazin-1-yl]ethanone
CID 50969617
2-trimethylsilylethyl 5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 54392133

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate?
The IUPAC name of [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate (CID 23568786) is [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate.
What is the SMILES notation for [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate?
The canonical SMILES for [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate is C/C=C/C(C)OC(=O)/C=C/C1=CCCN(C(C)=O)C1.
What is the InChIKey of [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate?
The InChIKey is CMAAGTIQYANCCI-ICNYKPIKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-6-12(2)19-15(18)9-8-14-7-5-10-16(11-14)13(3)17/h4,6-9,12H,5,10-11H2,1-3H3/b6-4+,9-8+.
What are the key properties of [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate?
[(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate has a molecular weight of 263.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-en-2-yl] (E)-3-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate is sourced from PubChem (CID 23568786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).