(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one

C9H15NO — CID 11480552

IUPAC(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@H]1NC(=O)CC[C@H]1C
InChIInChI=1S/C9H15NO/c1-3-4-8-7(2)5-6-9(11)10-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyJWNFDCONWRIMSC-SFYZADRCSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one

(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one (PubChem CID 11480552) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one
PubChem CID11480552
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one
SMILESC=CC[C@@H]1NC(=O)CC[C@H]1C
InChIInChI=1S/C9H15NO/c1-3-4-8-7(2)5-6-9(11)10-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyJWNFDCONWRIMSC-SFYZADRCSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-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 (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one?
The IUPAC name of (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one (CID 11480552) is (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one is C=CC[C@@H]1NC(=O)CC[C@H]1C.
What is the InChIKey of (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one?
The InChIKey is JWNFDCONWRIMSC-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-8-7(2)5-6-9(11)10-8/h3,7-8H,1,4-6H2,2H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one?
(5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-methyl-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 11480552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).