1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone

C8H11NO — CID 14140227

IUPAC1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone
SMILESC=C1C=CCN(C(C)=O)C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-9(6-7)8(2)10/h3-4H,1,5-6H2,2H3
InChIKeyKKUMWBKOJWERLC-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.96
Rot. Bonds

About 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone

1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone (PubChem CID 14140227) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone
PubChem CID14140227
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone
SMILESC=C1C=CCN(C(C)=O)C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-9(6-7)8(2)10/h3-4H,1,5-6H2,2H3
InChIKeyKKUMWBKOJWERLC-UHFFFAOYSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone?
The IUPAC name of 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone (CID 14140227) is 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone?
The canonical SMILES for 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone is C=C1C=CCN(C(C)=O)C1.
What is the InChIKey of 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone?
The InChIKey is KKUMWBKOJWERLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-4-3-5-9(6-7)8(2)10/h3-4H,1,5-6H2,2H3.
What are the key properties of 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone?
1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone has a molecular weight of 137.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidene-2,6-dihydropyridin-1-yl)ethanone is sourced from PubChem (CID 14140227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).