(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one

C10H17NO — CID 71486759

IUPAC(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one
SMILESC=C(C)C[C@]1(C)CCCNC1=O
InChIInChI=1S/C10H17NO/c1-8(2)7-10(3)5-4-6-11-9(10)12/h1,4-7H2,2-3H3,(H,11,12)/t10-/m0/s1
InChIKeyLWSQHFBBURHWHV-JTQLQIEISA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds2

About (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one

(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one (PubChem CID 71486759) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one
PubChem CID71486759
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one
SMILESC=C(C)C[C@]1(C)CCCNC1=O
InChIInChI=1S/C10H17NO/c1-8(2)7-10(3)5-4-6-11-9(10)12/h1,4-7H2,2-3H3,(H,11,12)/t10-/m0/s1
InChIKeyLWSQHFBBURHWHV-JTQLQIEISA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
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 (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one?
The IUPAC name of (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one (CID 71486759) is (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one?
The canonical SMILES for (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one is C=C(C)C[C@]1(C)CCCNC1=O.
What is the InChIKey of (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one?
The InChIKey is LWSQHFBBURHWHV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)7-10(3)5-4-6-11-9(10)12/h1,4-7H2,2-3H3,(H,11,12)/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one?
(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one is sourced from PubChem (CID 71486759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).