ethane;6-methyl-2H-pyridin-5-one

C8H13NO — CID 91443223

IUPACethane;6-methyl-2H-pyridin-5-one
SMILESCC.CC1=NCC=CC1=O
InChIInChI=1S/C6H7NO.C2H6/c1-5-6(8)3-2-4-7-5;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyGHRBMUUBYSJEQY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.61
Rot. Bonds

About ethane;6-methyl-2H-pyridin-5-one

ethane;6-methyl-2H-pyridin-5-one (PubChem CID 91443223) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;6-methyl-2H-pyridin-5-one.

Molecular Properties

Compound Nameethane;6-methyl-2H-pyridin-5-one
PubChem CID91443223
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethane;6-methyl-2H-pyridin-5-one
SMILESCC.CC1=NCC=CC1=O
InChIInChI=1S/C6H7NO.C2H6/c1-5-6(8)3-2-4-7-5;1-2/h2-3H,4H2,1H3;1-2H3
InChIKeyGHRBMUUBYSJEQY-UHFFFAOYSA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6,6-Tetramethyl-3(6H)-pyridinone
CID 21775038
N-(2-oxophenyl)-acetylacetoneimine
CID 129657734
2-pent-1-enyl-6-(trifluoromethyl)-2H-pyridin-3-one
CID 150090795
4-Ethyliminocyclohexa-2,5-dien-1-one
CID 22749398
2,3,6-Trimethyl-4-methyliminocyclohexa-2,5-dien-1-one
CID 57553800
6-methyl-2H-pyridin-5-one
CID 58784971
6-Methyliminocyclohexa-2,4-dien-1-one
CID 85574243
4-Propan-2-yliminocyclohexa-2,5-dien-1-one
CID 89368307
7-Ethyl-2,6-dihydroazepin-5-one
CID 90999673
1-(2,3-Dihydropyridin-6-yl)ethanone
CID 121321845
(Z)-2-methyliminohept-4-en-3-one
CID 123385875
(E)-5-methyliminohept-3-en-2-one
CID 123464330

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2H-pyridin-5-one?
The IUPAC name of ethane;6-methyl-2H-pyridin-5-one (CID 91443223) is ethane;6-methyl-2H-pyridin-5-one.
What is the SMILES notation for ethane;6-methyl-2H-pyridin-5-one?
The canonical SMILES for ethane;6-methyl-2H-pyridin-5-one is CC.CC1=NCC=CC1=O.
What is the InChIKey of ethane;6-methyl-2H-pyridin-5-one?
The InChIKey is GHRBMUUBYSJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6/c1-5-6(8)3-2-4-7-5;1-2/h2-3H,4H2,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2H-pyridin-5-one?
ethane;6-methyl-2H-pyridin-5-one has a molecular weight of 139.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2H-pyridin-5-one is sourced from PubChem (CID 91443223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).