1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone

C10H17NO — CID 93476405

IUPAC1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
SMILESC=CC[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3,10H,1,4-8H2,2H3/t10-/m1/s1
InChIKeyIMMAWNMXBMCRJP-SNVBAGLBSA-N
MW167.25 g/mol
LogP1.96
Rot. Bonds2

About 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone

1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone (PubChem CID 93476405) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
PubChem CID93476405
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
SMILESC=CC[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C10H17NO/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3,10H,1,4-8H2,2H3/t10-/m1/s1
InChIKeyIMMAWNMXBMCRJP-SNVBAGLBSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.96
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-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
1-(2-prop-2-enylazepan-1-yl)propan-1-one
CID 56945571
ethane;1-(2-prop-2-enylpiperidin-1-yl)pent-4-en-1-one
CID 168982127
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
amino (2R)-2-prop-2-enylazepane-1-carboxylate
CID 142113387
4-oxo-4-[(2S)-2-prop-2-enylpiperidin-1-yl]butanoic acid
CID 102402490
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 3755290
ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone (CID 93476405) is 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone is C=CC[C@@H]1CCCCN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone?
The InChIKey is IMMAWNMXBMCRJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-10-7-4-5-8-11(10)9(2)12/h3,10H,1,4-8H2,2H3/t10-/m1/s1.
What are the key properties of 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone?
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone is sourced from PubChem (CID 93476405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).