1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

C13H17NO2 — CID 139520011

IUPAC1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CO/C(=C\C)C1=CCCN(C(=O)C=C)C1
InChIInChI=1S/C13H17NO2/c1-4-12(16-6-3)11-8-7-9-14(10-11)13(15)5-2/h4-6,8H,2-3,7,9-10H2,1H3/b12-4-
InChIKeyVPGUUXFOZOQXCX-QCDXTXTGSA-N
MW219.28 g/mol
LogP2.39
Rot. Bonds4

About 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 139520011) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
PubChem CID139520011
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CO/C(=C\C)C1=CCCN(C(=O)C=C)C1
InChIInChI=1S/C13H17NO2/c1-4-12(16-6-3)11-8-7-9-14(10-11)13(15)5-2/h4-6,8H,2-3,7,9-10H2,1H3/b12-4-
InChIKeyVPGUUXFOZOQXCX-QCDXTXTGSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 139520011) is 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=CO/C(=C\C)C1=CCCN(C(=O)C=C)C1.
What is the InChIKey of 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The InChIKey is VPGUUXFOZOQXCX-QCDXTXTGSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-12(16-6-3)11-8-7-9-14(10-11)13(15)5-2/h4-6,8H,2-3,7,9-10H2,1H3/b12-4-.
What are the key properties of 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-1-ethenoxyprop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 139520011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).