1-(1-prop-2-enylpiperidin-3-yl)ethanone

C10H17NO — CID 63845285

IUPAC1-(1-prop-2-enylpiperidin-3-yl)ethanone
SMILESC=CCN1CCCC(C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h3,10H,1,4-8H2,2H3
InChIKeyCOXKVQMPLDVMPG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds3

About 1-(1-prop-2-enylpiperidin-3-yl)ethanone

1-(1-prop-2-enylpiperidin-3-yl)ethanone (PubChem CID 63845285) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-prop-2-enylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-prop-2-enylpiperidin-3-yl)ethanone
PubChem CID63845285
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-prop-2-enylpiperidin-3-yl)ethanone
SMILESC=CCN1CCCC(C(C)=O)C1
InChIInChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h3,10H,1,4-8H2,2H3
InChIKeyCOXKVQMPLDVMPG-UHFFFAOYSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
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-(1-prop-2-enylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(1-prop-2-enylpiperidin-3-yl)ethanone (CID 63845285) is 1-(1-prop-2-enylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-prop-2-enylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(1-prop-2-enylpiperidin-3-yl)ethanone is C=CCN1CCCC(C(C)=O)C1.
What is the InChIKey of 1-(1-prop-2-enylpiperidin-3-yl)ethanone?
The InChIKey is COXKVQMPLDVMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h3,10H,1,4-8H2,2H3.
What are the key properties of 1-(1-prop-2-enylpiperidin-3-yl)ethanone?
1-(1-prop-2-enylpiperidin-3-yl)ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylpiperidin-3-yl)ethanone is sourced from PubChem (CID 63845285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).