methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole

C43H67N9O5 — CID 158288933

IUPACmethane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole
SMILESC.CC(C)C(=O)C1=CCC(=O)N1.CC(C)C(=O)c1cc[nH]c1.CC(C)C(=O)c1ccc[nH]1.CC(C)c1c[nH]c(=O)[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1
InChIInChI=1S/C8H11NO2.2C8H11NO.C6H10N2O.2C6H10N2.CH4/c1-5(2)8(11)6-3-4-7(10)9-6;1-6(2)8(10)7-3-4-9-5-7;1-6(2)8(10)7-4-3-5-9-7;1-4(2)5-3-7-6(9)8-5;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;/h3,5H,4H2,1-2H3,(H,9,10);2*3-6,9H,1-2H3;3-4H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);1H4
InChIKeyGLCVIFVAQKMCMX-UHFFFAOYSA-N
MW790.07 g/mol
LogP8.85
Rot. Bonds9

About methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole

methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole (PubChem CID 158288933) has the molecular formula C43H67N9O5 and a molecular weight of 790.07 g/mol. Its IUPAC name is methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Namemethane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole
PubChem CID158288933
Molecular FormulaC43H67N9O5
Molecular Weight790.07 g/mol
Exact Mass789.53
IUPAC Namemethane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole
SMILESC.CC(C)C(=O)C1=CCC(=O)N1.CC(C)C(=O)c1cc[nH]c1.CC(C)C(=O)c1ccc[nH]1.CC(C)c1c[nH]c(=O)[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1
InChIInChI=1S/C8H11NO2.2C8H11NO.C6H10N2O.2C6H10N2.CH4/c1-5(2)8(11)6-3-4-7(10)9-6;1-6(2)8(10)7-3-4-9-5-7;1-6(2)8(10)7-4-3-5-9-7;1-4(2)5-3-7-6(9)8-5;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;/h3,5H,4H2,1-2H3,(H,9,10);2*3-6,9H,1-2H3;3-4H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);1H4
InChIKeyGLCVIFVAQKMCMX-UHFFFAOYSA-N
XLogP8.85
TPSA217.90 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500790.07
LogP ≤ 58.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole?
The IUPAC name of methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole (CID 158288933) is methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole?
The canonical SMILES for methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole is C.CC(C)C(=O)C1=CCC(=O)N1.CC(C)C(=O)c1cc[nH]c1.CC(C)C(=O)c1ccc[nH]1.CC(C)c1c[nH]c(=O)[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.
What is the InChIKey of methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole?
The InChIKey is GLCVIFVAQKMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.2C8H11NO.C6H10N2O.2C6H10N2.CH4/c1-5(2)8(11)6-3-4-7(10)9-6;1-6(2)8(10)7-3-4-9-5-7;1-6(2)8(10)7-4-3-5-9-7;1-4(2)5-3-7-6(9)8-5;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;/h3,5H,4H2,1-2H3,(H,9,10);2*3-6,9H,1-2H3;3-4H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);1H4.
What are the key properties of methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole?
methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole has a molecular weight of 790.07 g/mol, XLogP of 8.85, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-(2-methylpropanoyl)-1,3-dihydropyrrol-2-one;2-methyl-1-(1H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1H-pyrrol-3-yl)propan-1-one;4-propan-2-yl-1,3-dihydroimidazol-2-one;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 158288933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).