(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one

C9H15NO — CID 131124388

IUPAC(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
SMILESC=C[C@@H]1NC(=O)CC[C@H]1CC
InChIInChI=1S/C9H15NO/c1-3-7-5-6-9(11)10-8(7)4-2/h4,7-8H,2-3,5-6H2,1H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyNTRCPTRGLGEVEN-SFYZADRCSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds2

About (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one

(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one (PubChem CID 131124388) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
PubChem CID131124388
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(5R,6S)-6-ethenyl-5-ethylpiperidin-2-one
SMILESC=C[C@@H]1NC(=O)CC[C@H]1CC
InChIInChI=1S/C9H15NO/c1-3-7-5-6-9(11)10-8(7)4-2/h4,7-8H,2-3,5-6H2,1H3,(H,10,11)/t7-,8+/m1/s1
InChIKeyNTRCPTRGLGEVEN-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'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one?
The IUPAC name of (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one (CID 131124388) is (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one.
What is the SMILES notation for (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one?
The canonical SMILES for (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one is C=C[C@@H]1NC(=O)CC[C@H]1CC.
What is the InChIKey of (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one?
The InChIKey is NTRCPTRGLGEVEN-SFYZADRCSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7-5-6-9(11)10-8(7)4-2/h4,7-8H,2-3,5-6H2,1H3,(H,10,11)/t7-,8+/m1/s1.
What are the key properties of (5R,6S)-6-ethenyl-5-ethylpiperidin-2-one?
(5R,6S)-6-ethenyl-5-ethylpiperidin-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)-6-ethenyl-5-ethylpiperidin-2-one is sourced from PubChem (CID 131124388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).