ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one

C13H23NO — CID 142407936

IUPACethane;methylcyclobutane;4-methyl-1H-pyridin-2-one
SMILESCC.CC1CCC1.Cc1cc[nH]c(=O)c1
InChIInChI=1S/C6H7NO.C5H10.C2H6/c1-5-2-3-7-6(8)4-5;1-5-3-2-4-5;1-2/h2-4H,1H3,(H,7,8);5H,2-4H2,1H3;1-2H3
InChIKeyJJUKBMVBCWUEOK-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.52
Rot. Bonds

About ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one

ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one (PubChem CID 142407936) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;methylcyclobutane;4-methyl-1H-pyridin-2-one
PubChem CID142407936
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;methylcyclobutane;4-methyl-1H-pyridin-2-one
SMILESCC.CC1CCC1.Cc1cc[nH]c(=O)c1
InChIInChI=1S/C6H7NO.C5H10.C2H6/c1-5-2-3-7-6(8)4-5;1-5-3-2-4-5;1-2/h2-4H,1H3,(H,7,8);5H,2-4H2,1H3;1-2H3
InChIKeyJJUKBMVBCWUEOK-UHFFFAOYSA-N
XLogP3.52
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one?
The IUPAC name of ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one (CID 142407936) is ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one?
The canonical SMILES for ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one is CC.CC1CCC1.Cc1cc[nH]c(=O)c1.
What is the InChIKey of ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one?
The InChIKey is JJUKBMVBCWUEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C5H10.C2H6/c1-5-2-3-7-6(8)4-5;1-5-3-2-4-5;1-2/h2-4H,1H3,(H,7,8);5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one?
ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylcyclobutane;4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 142407936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).