(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one

C8H11NO — CID 55300664

IUPAC(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one
SMILESC/C=C\[C@H]1CC(=O)C=CN1
InChIInChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h2-5,7,9H,6H2,1H3/b3-2-/t7-/m0/s1
InChIKeyQTVHQJDYTPTEQU-XDVGHUOJSA-N
MW137.18 g/mol
LogP1.01
Rot. Bonds1

About (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one

(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one (PubChem CID 55300664) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one
PubChem CID55300664
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one
SMILESC/C=C\[C@H]1CC(=O)C=CN1
InChIInChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h2-5,7,9H,6H2,1H3/b3-2-/t7-/m0/s1
InChIKeyQTVHQJDYTPTEQU-XDVGHUOJSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one (CID 55300664) is (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one is C/C=C\[C@H]1CC(=O)C=CN1.
What is the InChIKey of (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is QTVHQJDYTPTEQU-XDVGHUOJSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-3-7-6-8(10)4-5-9-7/h2-5,7,9H,6H2,1H3/b3-2-/t7-/m0/s1.
What are the key properties of (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one?
(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 137.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 55300664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).