ethane;1-methylpiperidin-3-one

C8H17NO — CID 91265632

IUPACethane;1-methylpiperidin-3-one
SMILESCC.CN1CCCC(=O)C1
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(8)5-7;1-2/h2-5H2,1H3;1-2H3
InChIKeyITELROYROMJGHB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.31
Rot. Bonds

About ethane;1-methylpiperidin-3-one

ethane;1-methylpiperidin-3-one (PubChem CID 91265632) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;1-methylpiperidin-3-one.

Molecular Properties

Compound Nameethane;1-methylpiperidin-3-one
PubChem CID91265632
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;1-methylpiperidin-3-one
SMILESCC.CN1CCCC(=O)C1
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(8)5-7;1-2/h2-5H2,1H3;1-2H3
InChIKeyITELROYROMJGHB-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperidin-3-one?
The IUPAC name of ethane;1-methylpiperidin-3-one (CID 91265632) is ethane;1-methylpiperidin-3-one.
What is the SMILES notation for ethane;1-methylpiperidin-3-one?
The canonical SMILES for ethane;1-methylpiperidin-3-one is CC.CN1CCCC(=O)C1.
What is the InChIKey of ethane;1-methylpiperidin-3-one?
The InChIKey is ITELROYROMJGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(8)5-7;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methylpiperidin-3-one?
ethane;1-methylpiperidin-3-one has a molecular weight of 143.23 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperidin-3-one is sourced from PubChem (CID 91265632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).