(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one

C11H15NO — CID 135040576

IUPAC(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one
SMILESC=CC[C@H]1C=CNC(=O)[C@@H]1CC=C
InChIInChI=1S/C11H15NO/c1-3-5-9-7-8-12-11(13)10(9)6-4-2/h3-4,7-10H,1-2,5-6H2,(H,12,13)/t9-,10+/m0/s1
InChIKeyNTECSDBTSXBLMJ-VHSXEESVSA-N
MW177.25 g/mol
LogP2.01
Rot. Bonds4

About (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one

(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one (PubChem CID 135040576) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one
PubChem CID135040576
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one
SMILESC=CC[C@H]1C=CNC(=O)[C@@H]1CC=C
InChIInChI=1S/C11H15NO/c1-3-5-9-7-8-12-11(13)10(9)6-4-2/h3-4,7-10H,1-2,5-6H2,(H,12,13)/t9-,10+/m0/s1
InChIKeyNTECSDBTSXBLMJ-VHSXEESVSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one (CID 135040576) is (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one is C=CC[C@H]1C=CNC(=O)[C@@H]1CC=C.
What is the InChIKey of (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is NTECSDBTSXBLMJ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-9-7-8-12-11(13)10(9)6-4-2/h3-4,7-10H,1-2,5-6H2,(H,12,13)/t9-,10+/m0/s1.
What are the key properties of (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one?
(3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 177.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis(prop-2-enyl)-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 135040576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).