piperidin-2-one;dihydrate

C5H13NO3 — CID 78060658

IUPACpiperidin-2-one;dihydrate
SMILESO.O.O=C1CCCCN1
InChIInChI=1S/C5H9NO.2H2O/c7-5-3-1-2-4-6-5;;/h1-4H2,(H,6,7);2*1H2
InChIKeyDYABPKWVOQYATH-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.36
Rot. Bonds

About piperidin-2-one;dihydrate

piperidin-2-one;dihydrate (PubChem CID 78060658) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is piperidin-2-one;dihydrate.

Molecular Properties

Compound Namepiperidin-2-one;dihydrate
PubChem CID78060658
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Namepiperidin-2-one;dihydrate
SMILESO.O.O=C1CCCCN1
InChIInChI=1S/C5H9NO.2H2O/c7-5-3-1-2-4-6-5;;/h1-4H2,(H,6,7);2*1H2
InChIKeyDYABPKWVOQYATH-UHFFFAOYSA-N
XLogP-1.36
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dimagnesium;oxygen(2-);piperidin-2-one;chloride;hexahydrate
CID 172812864
azepan-2-one;cyclohexane
CID 70248400
azocan-2-one
CID 12657
azacyclotetracosan-2-one
CID 102100276
CID 172816971
CID 172816971
CID 77217086
CID 77217086
magnesium azepan-2-one
CID 18987030
azepan-2-one;pyrrolidin-2-one
CID 22023756
bis(azepan-2-one);dihydrochloride
CID 158190902
CID 70405773
CID 70405773
pyrrolidin-2-one;hydrate
CID 19382566
CID 176950935
CID 176950935

Frequently Asked Questions

What is the IUPAC name of piperidin-2-one;dihydrate?
The IUPAC name of piperidin-2-one;dihydrate (CID 78060658) is piperidin-2-one;dihydrate.
What is the SMILES notation for piperidin-2-one;dihydrate?
The canonical SMILES for piperidin-2-one;dihydrate is O.O.O=C1CCCCN1.
What is the InChIKey of piperidin-2-one;dihydrate?
The InChIKey is DYABPKWVOQYATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.2H2O/c7-5-3-1-2-4-6-5;;/h1-4H2,(H,6,7);2*1H2.
What are the key properties of piperidin-2-one;dihydrate?
piperidin-2-one;dihydrate has a molecular weight of 135.16 g/mol, XLogP of -1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-one;dihydrate is sourced from PubChem (CID 78060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).