ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one

C16H28N2O2 — CID 157480221

IUPACethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one
SMILESCC.CC.CC1=CC(O)NC=C1.Cc1cc[nH]c(=O)c1
InChIInChI=1S/C6H9NO.C6H7NO.2C2H6/c2*1-5-2-3-7-6(8)4-5;2*1-2/h2-4,6-8H,1H3;2-4H,1H3,(H,7,8);2*1-2H3
InChIKeyBWBPJNBQZHTXGV-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.10
Rot. Bonds

About ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one

ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one (PubChem CID 157480221) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one
PubChem CID157480221
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one
SMILESCC.CC.CC1=CC(O)NC=C1.Cc1cc[nH]c(=O)c1
InChIInChI=1S/C6H9NO.C6H7NO.2C2H6/c2*1-5-2-3-7-6(8)4-5;2*1-2/h2-4,6-8H,1H3;2-4H,1H3,(H,7,8);2*1-2H3
InChIKeyBWBPJNBQZHTXGV-UHFFFAOYSA-N
XLogP3.10
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one?
The IUPAC name of ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one (CID 157480221) is ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one.
What is the SMILES notation for ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one?
The canonical SMILES for ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one is CC.CC.CC1=CC(O)NC=C1.Cc1cc[nH]c(=O)c1.
What is the InChIKey of ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one?
The InChIKey is BWBPJNBQZHTXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H7NO.2C2H6/c2*1-5-2-3-7-6(8)4-5;2*1-2/h2-4,6-8H,1H3;2-4H,1H3,(H,7,8);2*1-2H3.
What are the key properties of ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one?
ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one has a molecular weight of 280.41 g/mol, XLogP of 3.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1,2-dihydropyridin-2-ol;4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 157480221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).