6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one

C10H15NO2 — CID 58165448

IUPAC6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one
SMILESC=C(C)C(=O)N1C(=O)CCCC1C
InChIInChI=1S/C10H15NO2/c1-7(2)10(13)11-8(3)5-4-6-9(11)12/h8H,1,4-6H2,2-3H3
InChIKeySTCFHKVUKQLZSG-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.49
Rot. Bonds1

About 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one

6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one (PubChem CID 58165448) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one.

Molecular Properties

Compound Name6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one
PubChem CID58165448
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one
SMILESC=C(C)C(=O)N1C(=O)CCCC1C
InChIInChI=1S/C10H15NO2/c1-7(2)10(13)11-8(3)5-4-6-9(11)12/h8H,1,4-6H2,2-3H3
InChIKeySTCFHKVUKQLZSG-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one
CID 58165513
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one
CID 58165399
1-iodo-6-methylpiperidin-2-one
CID 135233240
[2-(2-acetyloxy-7-oxoazepan-1-yl)-2-oxoethyl] 2-methylprop-2-enoate
CID 66795830
1-(5-ethyl-2-methylpiperidin-1-yl)-2-methylprop-2-en-1-one
CID 71363306
(5R)-1-hydroxy-5-methylpyrrolidin-2-one
CID 56612622
9-(2-methylprop-2-enoyl)-9-azabicyclo[6.2.0]decan-10-one;6-(2-methylprop-2-enoyl)-6-azabicyclo[3.2.0]heptan-7-one;8-(2-methylprop-2-enoyl)-8-azabicyclo[5.2.0]nonan-9-one;7-(2-methylprop-2-enoyl)-7-azabicyclo[4.2.0]octan-8-one;9-prop-2-enoyl-9-azabicyclo[6.2.0]decan-10-one;6-prop-2-enoyl-6-azabicyclo[3.2.0]heptan-7-one;8-prop-2-enoyl-8-azabicyclo[5.2.0]nonan-9-one;7-prop-2-enoyl-7-azabicyclo[4.2.0]octan-8-one
CID 159613285
6-fluoro-1-[(1S)-2,3,4-trimethylcyclobut-2-ene-1-carbonyl]piperidin-2-one
CID 88869523
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
1-acetyl-5-fluoropyrrolidin-2-one
CID 45085880

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one?
The IUPAC name of 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one (CID 58165448) is 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one.
What is the SMILES notation for 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one?
The canonical SMILES for 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one is C=C(C)C(=O)N1C(=O)CCCC1C.
What is the InChIKey of 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one?
The InChIKey is STCFHKVUKQLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(2)10(13)11-8(3)5-4-6-9(11)12/h8H,1,4-6H2,2-3H3.
What are the key properties of 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one?
6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylprop-2-enoyl)piperidin-2-one is sourced from PubChem (CID 58165448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).