1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

C14H18N2O — CID 169205107

IUPAC1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=C/N=C(\C(=C)C)C1=CCN(C(=O)C=C)CC1
InChIInChI=1S/C14H18N2O/c1-5-13(17)16-9-7-12(8-10-16)14(11(3)4)15-6-2/h5-7H,1-3,8-10H2,4H3/b15-14+
InChIKeyPWVJTEMLOYOPIU-CCEZHUSRSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 169205107) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
PubChem CID169205107
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=C/N=C(\C(=C)C)C1=CCN(C(=O)C=C)CC1
InChIInChI=1S/C14H18N2O/c1-5-13(17)16-9-7-12(8-10-16)14(11(3)4)15-6-2/h5-7H,1-3,8-10H2,4H3/b15-14+
InChIKeyPWVJTEMLOYOPIU-CCEZHUSRSA-N
XLogP2.49
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 169205107) is 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=C/N=C(\C(=C)C)C1=CCN(C(=O)C=C)CC1.
What is the InChIKey of 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The InChIKey is PWVJTEMLOYOPIU-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H18N2O/c1-5-13(17)16-9-7-12(8-10-16)14(11(3)4)15-6-2/h5-7H,1-3,8-10H2,4H3/b15-14+.
What are the key properties of 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-ethenyl-C-prop-1-en-2-ylcarbonimidoyl)-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 169205107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).