ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one

C18H34N2O2 — CID 145026761

IUPACethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one
SMILESCC.CC.CCc1cccn(C)c1=O.CN1CCCCC1=O
InChIInChI=1S/C8H11NO.C6H11NO.2C2H6/c1-3-7-5-4-6-9(2)8(7)10;1-7-5-3-2-4-6(7)8;2*1-2/h4-6H,3H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyFLIIBTJIZNAWCV-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.63
Rot. Bonds1

About ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one

ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one (PubChem CID 145026761) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one
PubChem CID145026761
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nameethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one
SMILESCC.CC.CCc1cccn(C)c1=O.CN1CCCCC1=O
InChIInChI=1S/C8H11NO.C6H11NO.2C2H6/c1-3-7-5-4-6-9(2)8(7)10;1-7-5-3-2-4-6(7)8;2*1-2/h4-6H,3H2,1-2H3;2-5H2,1H3;2*1-2H3
InChIKeyFLIIBTJIZNAWCV-UHFFFAOYSA-N
XLogP3.63
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-dimethylpyridin-2-one;ethane;3-ethyl-1-methylpyridin-2-one
CID 145026710
CID 174856842
CID 174856842
ethane;1-methylpiperidine-2,6-dione;1-methylpiperidin-2-one
CID 142822980
argon;carbanide;1-methylpiperidin-2-one;yttrium
CID 162062562
7-methyl-1,7-diazacyclotridecan-8-one
CID 70065452
ethane;methane;1-methylpyrrolidine;1-methylpyrrolidin-2-one
CID 161083681
1-methylpyrrolidin-2-one;propan-1-ol
CID 22151758
methanethiol;1-methylpyrrolidin-2-one
CID 174894965
1-methylpiperidin-2-one;piperidin-2-one
CID 137374388
1-methylazepan-2-one;1,1,3,3-tetramethylurea
CID 19019034
ethane-1,2-diamine;1-methylpyrrolidin-2-one
CID 158124150
1-methylpiperidine;1-methylpyrrolidin-2-one
CID 18416662

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one?
The IUPAC name of ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one (CID 145026761) is ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one.
What is the SMILES notation for ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one?
The canonical SMILES for ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one is CC.CC.CCc1cccn(C)c1=O.CN1CCCCC1=O.
What is the InChIKey of ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one?
The InChIKey is FLIIBTJIZNAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C6H11NO.2C2H6/c1-3-7-5-4-6-9(2)8(7)10;1-7-5-3-2-4-6(7)8;2*1-2/h4-6H,3H2,1-2H3;2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one?
ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one has a molecular weight of 310.48 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-1-methylpyridin-2-one;1-methylpiperidin-2-one is sourced from PubChem (CID 145026761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).