ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran

C38H65NO2S — CID 158190104

IUPACethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran
SMILESC.CC.CC.CC.CC.Cc1cc(C)c(C)o1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1
InChIInChI=1S/C7H10O.C7H8.C5H7N.C5H6O.C5H6S.4C2H6.CH4/c1-5-4-6(2)8-7(5)3;1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;4*1-2;/h4H,1-3H3;2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;4*1-2H3;1H4
InChIKeyFZQLDMMBUKTSQW-UHFFFAOYSA-N
MW600.01 g/mol
LogP13.91
Rot. Bonds

About ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran

ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran (PubChem CID 158190104) has the molecular formula C38H65NO2S and a molecular weight of 600.01 g/mol. Its IUPAC name is ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran.

Molecular Properties

Compound Nameethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran
PubChem CID158190104
Molecular FormulaC38H65NO2S
Molecular Weight600.01 g/mol
Exact Mass599.47
IUPAC Nameethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran
SMILESC.CC.CC.CC.CC.Cc1cc(C)c(C)o1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1
InChIInChI=1S/C7H10O.C7H8.C5H7N.C5H6O.C5H6S.4C2H6.CH4/c1-5-4-6(2)8-7(5)3;1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;4*1-2;/h4H,1-3H3;2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;4*1-2H3;1H4
InChIKeyFZQLDMMBUKTSQW-UHFFFAOYSA-N
XLogP13.91
TPSA42.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.01
LogP ≤ 513.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 2459051
Furyl(thienyl)pyrrole
CID 129782024
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111354494
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111788593
(2Z)-3-(2-furyl)-N-(2-indol-3-ylethyl)-2-(2-thienylcarbonylamino)prop-2-enamid e
CID 1593404
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 4882423
N-[(1E)-1-(furan-2-yl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 5732948
2-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrole
CID 18788916
4-cyclohexyl-N-[1-[2-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutyl]-1H-pyrrol-3-yl]-4-methylpentan-2-yl]butanamide
CID 56986867
5-[6-(furan-2-yl)-3-methylsulfonyl-3-(1H-pyrrol-2-yl)hexyl]thiophene-2-carboxylic acid
CID 57059798

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran?
The IUPAC name of ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran (CID 158190104) is ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran.
What is the SMILES notation for ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran?
The canonical SMILES for ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran is C.CC.CC.CC.CC.Cc1cc(C)c(C)o1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.
What is the InChIKey of ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran?
The InChIKey is FZQLDMMBUKTSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C7H8.C5H7N.C5H6O.C5H6S.4C2H6.CH4/c1-5-4-6(2)8-7(5)3;1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;4*1-2;/h4H,1-3H3;2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;4*1-2H3;1H4.
What are the key properties of ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran?
ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran has a molecular weight of 600.01 g/mol, XLogP of 13.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methylfuran;2-methyl-1H-pyrrole;2-methylthiophene;toluene;2,3,5-trimethylfuran is sourced from PubChem (CID 158190104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).