2-methylpiperidin-3-one

C6H11NO — CID 56972713

IUPAC2-methylpiperidin-3-one
SMILESCC1NCCCC1=O
InChIInChI=1S/C6H11NO/c1-5-6(8)3-2-4-7-5/h5,7H,2-4H2,1H3
InChIKeyYAGVBVXWOLWYNB-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds

About 2-methylpiperidin-3-one

2-methylpiperidin-3-one (PubChem CID 56972713) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methylpiperidin-3-one.

Molecular Properties

Compound Name2-methylpiperidin-3-one
PubChem CID56972713
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methylpiperidin-3-one
SMILESCC1NCCCC1=O
InChIInChI=1S/C6H11NO/c1-5-6(8)3-2-4-7-5/h5,7H,2-4H2,1H3
InChIKeyYAGVBVXWOLWYNB-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpiperidin-3-one?
The IUPAC name of 2-methylpiperidin-3-one (CID 56972713) is 2-methylpiperidin-3-one.
What is the SMILES notation for 2-methylpiperidin-3-one?
The canonical SMILES for 2-methylpiperidin-3-one is CC1NCCCC1=O.
What is the InChIKey of 2-methylpiperidin-3-one?
The InChIKey is YAGVBVXWOLWYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-6(8)3-2-4-7-5/h5,7H,2-4H2,1H3.
What are the key properties of 2-methylpiperidin-3-one?
2-methylpiperidin-3-one has a molecular weight of 113.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperidin-3-one is sourced from PubChem (CID 56972713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).