1-(5-methylidenepiperidin-3-yl)ethanone

C8H13NO — CID 91206668

IUPAC1-(5-methylidenepiperidin-3-yl)ethanone
SMILESC=C1CNCC(C(C)=O)C1
InChIInChI=1S/C8H13NO/c1-6-3-8(7(2)10)5-9-4-6/h8-9H,1,3-5H2,2H3
InChIKeySQDXCPQLMWDVBW-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds1

About 1-(5-methylidenepiperidin-3-yl)ethanone

1-(5-methylidenepiperidin-3-yl)ethanone (PubChem CID 91206668) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(5-methylidenepiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylidenepiperidin-3-yl)ethanone
PubChem CID91206668
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(5-methylidenepiperidin-3-yl)ethanone
SMILESC=C1CNCC(C(C)=O)C1
InChIInChI=1S/C8H13NO/c1-6-3-8(7(2)10)5-9-4-6/h8-9H,1,3-5H2,2H3
InChIKeySQDXCPQLMWDVBW-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexahydroisoquinolin-6-one
CID 91183528
1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone
CID 176883295
2-Methyl-1-(piperidin-4-yl)prop-2-en-1-one
CID 116547599
Hexahydro-7-methyl-6-isoquinolone
CID 129787994
3-Prop-2-enylpiperidin-4-one
CID 11815441
1-(Piperidin-4-yl)but-3-en-1-one
CID 20735215
3-Methyl-1-piperidin-4-ylbut-3-en-1-one
CID 20735305
3-Methyl-3-prop-2-enylpiperidin-4-one
CID 21652418
3,5-Bis(prop-2-enyl)piperidin-4-one
CID 69778478
(5R)-5-prop-1-en-2-ylpiperidin-2-one
CID 89476530
3-Methyl-5-prop-1-en-2-ylpiperidin-2-one
CID 89476542
molecular hydrogen;(5R)-5-prop-1-en-2-ylpiperidin-2-one
CID 144543006

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylidenepiperidin-3-yl)ethanone?
The IUPAC name of 1-(5-methylidenepiperidin-3-yl)ethanone (CID 91206668) is 1-(5-methylidenepiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(5-methylidenepiperidin-3-yl)ethanone?
The canonical SMILES for 1-(5-methylidenepiperidin-3-yl)ethanone is C=C1CNCC(C(C)=O)C1.
What is the InChIKey of 1-(5-methylidenepiperidin-3-yl)ethanone?
The InChIKey is SQDXCPQLMWDVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-3-8(7(2)10)5-9-4-6/h8-9H,1,3-5H2,2H3.
What are the key properties of 1-(5-methylidenepiperidin-3-yl)ethanone?
1-(5-methylidenepiperidin-3-yl)ethanone has a molecular weight of 139.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylidenepiperidin-3-yl)ethanone is sourced from PubChem (CID 91206668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).