ethane;5-methyl-3H-pyridin-2-one

C8H13NO — CID 90750626

IUPACethane;5-methyl-3H-pyridin-2-one
SMILESCC.CC1=CCC(=O)N=C1
InChIInChI=1S/C6H7NO.C2H6/c1-5-2-3-6(8)7-4-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyVPRZZZILWWKECA-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.96
Rot. Bonds

About ethane;5-methyl-3H-pyridin-2-one

ethane;5-methyl-3H-pyridin-2-one (PubChem CID 90750626) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is ethane;5-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Nameethane;5-methyl-3H-pyridin-2-one
PubChem CID90750626
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Nameethane;5-methyl-3H-pyridin-2-one
SMILESCC.CC1=CCC(=O)N=C1
InChIInChI=1S/C6H7NO.C2H6/c1-5-2-3-6(8)7-4-5;1-2/h2,4H,3H2,1H3;1-2H3
InChIKeyVPRZZZILWWKECA-UHFFFAOYSA-N
XLogP1.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(trifluoromethyl)-3H-pyridin-2-one
CID 56995478
3,6-Dihydro-3,3,6,6-tetramethyl-2h-azepin-2-one
CID 129653145
1,5-dimethyl-3H-pyridin-1-ium-2-one
CID 135074933
4-methyl-3H-pyridin-2-one
CID 4362847
5-methyl-3H-pyridin-2-one
CID 21051755
3,3-Dimethylpyridin-2-one
CID 69704256
3,5-diethyl-3H-pyridin-2-one
CID 73723030
3-Methyl-2(3H)-pyridinone
CID 90753333
4,5-dimethyl-3H-pyridin-2-one
CID 90993310
ethane;4-methyl-3H-pyridin-2-one
CID 91006355
(E)-2-methyl-N-propylidenepent-2-enamide
CID 91014107
5-ethyl-3H-pyridin-2-one
CID 91127173

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3H-pyridin-2-one?
The IUPAC name of ethane;5-methyl-3H-pyridin-2-one (CID 90750626) is ethane;5-methyl-3H-pyridin-2-one.
What is the SMILES notation for ethane;5-methyl-3H-pyridin-2-one?
The canonical SMILES for ethane;5-methyl-3H-pyridin-2-one is CC.CC1=CCC(=O)N=C1.
What is the InChIKey of ethane;5-methyl-3H-pyridin-2-one?
The InChIKey is VPRZZZILWWKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C2H6/c1-5-2-3-6(8)7-4-5;1-2/h2,4H,3H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3H-pyridin-2-one?
ethane;5-methyl-3H-pyridin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3H-pyridin-2-one is sourced from PubChem (CID 90750626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).