6-methylpiperidin-2-one;propane

C9H19NO — CID 142225224

IUPAC6-methylpiperidin-2-one;propane
SMILESCC1CCCC(=O)N1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-5-3-2-4-6(8)7-5;1-3-2/h5H,2-4H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyXZWGXSUPDUEPIF-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.09
Rot. Bonds

About 6-methylpiperidin-2-one;propane

6-methylpiperidin-2-one;propane (PubChem CID 142225224) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 6-methylpiperidin-2-one;propane.

Molecular Properties

Compound Name6-methylpiperidin-2-one;propane
PubChem CID142225224
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name6-methylpiperidin-2-one;propane
SMILESCC1CCCC(=O)N1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-5-3-2-4-6(8)7-5;1-3-2/h5H,2-4H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyXZWGXSUPDUEPIF-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-5-methylpyrrolidin-2-one
CID 7458701
(5S)-5-methylpyrrolidin-2-one;hydrochloride
CID 69463924
5-methylpyrrolidin-2-one;hydrate
CID 142802417
(6R)-6-ethylsulfonylpiperidin-2-one
CID 99990598
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one
CID 159724380
6-[[ethoxy(sulfanyl)methoxy]methyl]piperidin-2-one
CID 142921884
6-(iodomethyl)piperidin-2-one
CID 10933573
2-[cyclopropyl(ethyl)amino]cyclopentan-1-one
CID 43794934
2-methylprop-2-enoic acid;5-methylpyrrolidin-2-one
CID 69307540
6-(methylaminomethyl)piperidin-2-one;dihydrobromide
CID 138059127
3-methyl-1,4-oxazepan-5-one
CID 55298771

Frequently Asked Questions

What is the IUPAC name of 6-methylpiperidin-2-one;propane?
The IUPAC name of 6-methylpiperidin-2-one;propane (CID 142225224) is 6-methylpiperidin-2-one;propane.
What is the SMILES notation for 6-methylpiperidin-2-one;propane?
The canonical SMILES for 6-methylpiperidin-2-one;propane is CC1CCCC(=O)N1.CCC.
What is the InChIKey of 6-methylpiperidin-2-one;propane?
The InChIKey is XZWGXSUPDUEPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H8/c1-5-3-2-4-6(8)7-5;1-3-2/h5H,2-4H2,1H3,(H,7,8);3H2,1-2H3.
What are the key properties of 6-methylpiperidin-2-one;propane?
6-methylpiperidin-2-one;propane has a molecular weight of 157.26 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpiperidin-2-one;propane is sourced from PubChem (CID 142225224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).