(3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one

C11H17NO2 — CID 53495089

IUPAC(3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(C)CCCN(C(C)=O)C1=O
InChIInChI=1S/C11H17NO2/c1-4-6-11(3)7-5-8-12(9(2)13)10(11)14/h4H,1,5-8H2,2-3H3/t11-/m1/s1
InChIKeySTWYVJBWLNWNST-LLVKDONJSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds2

About (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one

(3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one (PubChem CID 53495089) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one
PubChem CID53495089
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one
SMILESC=CC[C@]1(C)CCCN(C(C)=O)C1=O
InChIInChI=1S/C11H17NO2/c1-4-6-11(3)7-5-8-12(9(2)13)10(11)14/h4H,1,5-8H2,2-3H3/t11-/m1/s1
InChIKeySTWYVJBWLNWNST-LLVKDONJSA-N
XLogP1.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
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 (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one?
The IUPAC name of (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one (CID 53495089) is (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one is C=CC[C@]1(C)CCCN(C(C)=O)C1=O.
What is the InChIKey of (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one?
The InChIKey is STWYVJBWLNWNST-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-11(3)7-5-8-12(9(2)13)10(11)14/h4H,1,5-8H2,2-3H3/t11-/m1/s1.
What are the key properties of (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one?
(3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-3-methyl-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 53495089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).