ethane;bis(4-methyl-1H-pyridin-2-one)

C16H26N2O2 — CID 158231683

IUPACethane;bis(4-methyl-1H-pyridin-2-one)
SMILESCC.CC.Cc1cc[nH]c(=O)c1.Cc1cc[nH]c(=O)c1
InChIInChI=1S/2C6H7NO.2C2H6/c2*1-5-2-3-7-6(8)4-5;2*1-2/h2*2-4H,1H3,(H,7,8);2*1-2H3
InChIKeyGELKQRJQKNFFCQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.42
Rot. Bonds

About ethane;bis(4-methyl-1H-pyridin-2-one)

ethane;bis(4-methyl-1H-pyridin-2-one) (PubChem CID 158231683) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;bis(4-methyl-1H-pyridin-2-one).

Molecular Properties

Compound Nameethane;bis(4-methyl-1H-pyridin-2-one)
PubChem CID158231683
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethane;bis(4-methyl-1H-pyridin-2-one)
SMILESCC.CC.Cc1cc[nH]c(=O)c1.Cc1cc[nH]c(=O)c1
InChIInChI=1S/2C6H7NO.2C2H6/c2*1-5-2-3-7-6(8)4-5;2*1-2/h2*2-4H,1H3,(H,7,8);2*1-2H3
InChIKeyGELKQRJQKNFFCQ-UHFFFAOYSA-N
XLogP3.42
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(4-methyl-1H-pyridin-2-one)?
The IUPAC name of ethane;bis(4-methyl-1H-pyridin-2-one) (CID 158231683) is ethane;bis(4-methyl-1H-pyridin-2-one).
What is the SMILES notation for ethane;bis(4-methyl-1H-pyridin-2-one)?
The canonical SMILES for ethane;bis(4-methyl-1H-pyridin-2-one) is CC.CC.Cc1cc[nH]c(=O)c1.Cc1cc[nH]c(=O)c1.
What is the InChIKey of ethane;bis(4-methyl-1H-pyridin-2-one)?
The InChIKey is GELKQRJQKNFFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7NO.2C2H6/c2*1-5-2-3-7-6(8)4-5;2*1-2/h2*2-4H,1H3,(H,7,8);2*1-2H3.
What are the key properties of ethane;bis(4-methyl-1H-pyridin-2-one)?
ethane;bis(4-methyl-1H-pyridin-2-one) has a molecular weight of 278.40 g/mol, XLogP of 3.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(4-methyl-1H-pyridin-2-one) is sourced from PubChem (CID 158231683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).