2-methylidene-1-prop-2-enyl-3H-pyridin-6-one

C9H11NO — CID 134556414

IUPAC2-methylidene-1-prop-2-enyl-3H-pyridin-6-one
SMILESC=CCN1C(=C)CC=CC1=O
InChIInChI=1S/C9H11NO/c1-3-7-10-8(2)5-4-6-9(10)11/h3-4,6H,1-2,5,7H2
InChIKeyAKPCIMUABBZEBS-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.47
Rot. Bonds2

About 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one

2-methylidene-1-prop-2-enyl-3H-pyridin-6-one (PubChem CID 134556414) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one.

Molecular Properties

Compound Name2-methylidene-1-prop-2-enyl-3H-pyridin-6-one
PubChem CID134556414
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methylidene-1-prop-2-enyl-3H-pyridin-6-one
SMILESC=CCN1C(=C)CC=CC1=O
InChIInChI=1S/C9H11NO/c1-3-7-10-8(2)5-4-6-9(10)11/h3-4,6H,1-2,5,7H2
InChIKeyAKPCIMUABBZEBS-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3H-pyridine-2,6-dione
CID 131019098
2,5-dimethylidene-1-prop-2-enylpyrrolidine
CID 144985086
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
ethane;1-ethyl-3H-pyridine-2,6-dione
CID 91431564
2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 123730959
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 15051391
(3R)-3-methyl-1-prop-2-enylpyrrolidine-2,5-dione
CID 15757783
2-(2,6-dioxo-3H-pyridin-1-yl)acetonitrile
CID 126997695
3-prop-2-enyl-1-thia-3-azaspiro[4.4]non-7-ene-2,4-dione
CID 53386505
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
1-ethenyl-2H-pyrrol-5-one
CID 57280799

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one?
The IUPAC name of 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one (CID 134556414) is 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one.
What is the SMILES notation for 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one?
The canonical SMILES for 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one is C=CCN1C(=C)CC=CC1=O.
What is the InChIKey of 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one?
The InChIKey is AKPCIMUABBZEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-7-10-8(2)5-4-6-9(10)11/h3-4,6H,1-2,5,7H2.
What are the key properties of 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one?
2-methylidene-1-prop-2-enyl-3H-pyridin-6-one has a molecular weight of 149.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-prop-2-enyl-3H-pyridin-6-one is sourced from PubChem (CID 134556414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).