(2S)-1-methyl-2-prop-2-enylpiperidin-4-one

C9H15NO — CID 59905848

IUPAC(2S)-1-methyl-2-prop-2-enylpiperidin-4-one
SMILESC=CC[C@H]1CC(=O)CCN1C
InChIInChI=1S/C9H15NO/c1-3-4-8-7-9(11)5-6-10(8)2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyHTSYJONSEZHLQD-QMMMGPOBSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds2

About (2S)-1-methyl-2-prop-2-enylpiperidin-4-one

(2S)-1-methyl-2-prop-2-enylpiperidin-4-one (PubChem CID 59905848) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2S)-1-methyl-2-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name(2S)-1-methyl-2-prop-2-enylpiperidin-4-one
PubChem CID59905848
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2S)-1-methyl-2-prop-2-enylpiperidin-4-one
SMILESC=CC[C@H]1CC(=O)CCN1C
InChIInChI=1S/C9H15NO/c1-3-4-8-7-9(11)5-6-10(8)2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyHTSYJONSEZHLQD-QMMMGPOBSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-methyl-2-prop-2-enylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-prop-2-enylpiperidin-4-one?
The IUPAC name of (2S)-1-methyl-2-prop-2-enylpiperidin-4-one (CID 59905848) is (2S)-1-methyl-2-prop-2-enylpiperidin-4-one.
What is the SMILES notation for (2S)-1-methyl-2-prop-2-enylpiperidin-4-one?
The canonical SMILES for (2S)-1-methyl-2-prop-2-enylpiperidin-4-one is C=CC[C@H]1CC(=O)CCN1C.
What is the InChIKey of (2S)-1-methyl-2-prop-2-enylpiperidin-4-one?
The InChIKey is HTSYJONSEZHLQD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-8-7-9(11)5-6-10(8)2/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-1-methyl-2-prop-2-enylpiperidin-4-one?
(2S)-1-methyl-2-prop-2-enylpiperidin-4-one has a molecular weight of 153.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 59905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).