4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane

C19H31NO2 — CID 161162845

IUPAC4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane
SMILESCC1=CCC(=O)C=C1.CCC.CCC.Cc1ccc(=O)[nH]c1
InChIInChI=1S/C7H8O.C6H7NO.2C3H8/c1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7-4-5;2*1-3-2/h2-4H,5H2,1H3;2-4H,1H3,(H,7,8);2*3H2,1-2H3
InChIKeyUQDMCFIFXWYJKW-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.98
Rot. Bonds

About 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane

4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane (PubChem CID 161162845) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane.

Molecular Properties

Compound Name4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane
PubChem CID161162845
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane
SMILESCC1=CCC(=O)C=C1.CCC.CCC.Cc1ccc(=O)[nH]c1
InChIInChI=1S/C7H8O.C6H7NO.2C3H8/c1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7-4-5;2*1-3-2/h2-4H,5H2,1H3;2-4H,1H3,(H,7,8);2*3H2,1-2H3
InChIKeyUQDMCFIFXWYJKW-UHFFFAOYSA-N
XLogP4.98
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane with MolForge

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Related Compounds

4-Acetyl-1,2-dihydropyridin-2-one
CID 21453482
2-Hydroxy-5-acetylpyridine
CID 15882189
5-Ethyl-2-pyridinol
CID 19365871
7-Methyl-2,3-dihydroisoquinolin-3-one
CID 21541258
[3,3'-Bipyridine]-6,6'(1H,1'H)-dione
CID 18373983
5-Propionylpyridin-2(1H)-one
CID 89672899
4-(2-oxo-1H-pyridin-4-yl)-1H-pyridin-2-one
CID 12278761
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117
2-Hydroxy-3-azabenz-anthrone
CID 129791559
5-(6-oxo-1H-pyridin-3-yl)-1H-pyridin-2-one;dihydrate
CID 168339190
N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 50957953
1-(1,2-Dihydropyridin-4-yl)ethanone
CID 5231768

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane?
The IUPAC name of 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane (CID 161162845) is 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane.
What is the SMILES notation for 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane?
The canonical SMILES for 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane is CC1=CCC(=O)C=C1.CCC.CCC.Cc1ccc(=O)[nH]c1.
What is the InChIKey of 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane?
The InChIKey is UQDMCFIFXWYJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C6H7NO.2C3H8/c1-6-2-4-7(8)5-3-6;1-5-2-3-6(8)7-4-5;2*1-3-2/h2-4H,5H2,1H3;2-4H,1H3,(H,7,8);2*3H2,1-2H3.
What are the key properties of 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane?
4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane has a molecular weight of 305.46 g/mol, XLogP of 4.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane is sourced from PubChem (CID 161162845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).