azane;piperidin-3-one

C5H12N2O — CID 67945753

IUPACazane;piperidin-3-one
SMILESN.O=C1CCCNC1
InChIInChI=1S/C5H9NO.H3N/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H3
InChIKeyQJZXXJHDXMUTCI-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.10
Rot. Bonds

About azane;piperidin-3-one

azane;piperidin-3-one (PubChem CID 67945753) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is azane;piperidin-3-one.

Molecular Properties

Compound Nameazane;piperidin-3-one
PubChem CID67945753
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Nameazane;piperidin-3-one
SMILESN.O=C1CCCNC1
InChIInChI=1S/C5H9NO.H3N/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H3
InChIKeyQJZXXJHDXMUTCI-UHFFFAOYSA-N
XLogP0.10
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;piperidin-3-one?
The IUPAC name of azane;piperidin-3-one (CID 67945753) is azane;piperidin-3-one.
What is the SMILES notation for azane;piperidin-3-one?
The canonical SMILES for azane;piperidin-3-one is N.O=C1CCCNC1.
What is the InChIKey of azane;piperidin-3-one?
The InChIKey is QJZXXJHDXMUTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H3N/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H3.
What are the key properties of azane;piperidin-3-one?
azane;piperidin-3-one has a molecular weight of 116.16 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;piperidin-3-one is sourced from PubChem (CID 67945753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).