1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone

C10H17NO2 — CID 10749973

IUPAC1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone
SMILESC=CC1CCCCN1C(=O)COC
InChIInChI=1S/C10H17NO2/c1-3-9-6-4-5-7-11(9)10(12)8-13-2/h3,9H,1,4-8H2,2H3
InChIKeyWETGNMAMICDCOD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds3

About 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone

1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone (PubChem CID 10749973) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone
PubChem CID10749973
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone
SMILESC=CC1CCCCN1C(=O)COC
InChIInChI=1S/C10H17NO2/c1-3-9-6-4-5-7-11(9)10(12)8-13-2/h3,9H,1,4-8H2,2H3
InChIKeyWETGNMAMICDCOD-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
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 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone (CID 10749973) is 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone is C=CC1CCCCN1C(=O)COC.
What is the InChIKey of 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone?
The InChIKey is WETGNMAMICDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-9-6-4-5-7-11(9)10(12)8-13-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone?
1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone has a molecular weight of 183.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylpiperidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 10749973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).