2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane

C22H41NOS — CID 158558135

IUPAC2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane
SMILESC.C.C.C.Cc1cc[nH]c1C.Cc1ccoc1C.Cc1ccsc1C
InChIInChI=1S/C6H9N.C6H8O.C6H8S.4CH4/c3*1-5-3-4-7-6(5)2;;;;/h3-4,7H,1-2H3;2*3-4H,1-2H3;4*1H4
InChIKeyHQNUVQNNHHFWFZ-UHFFFAOYSA-N
MW367.64 g/mol
LogP8.44
Rot. Bonds

About 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane

2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane (PubChem CID 158558135) has the molecular formula C22H41NOS and a molecular weight of 367.64 g/mol. Its IUPAC name is 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane.

Molecular Properties

Compound Name2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane
PubChem CID158558135
Molecular FormulaC22H41NOS
Molecular Weight367.64 g/mol
Exact Mass367.29
IUPAC Name2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane
SMILESC.C.C.C.Cc1cc[nH]c1C.Cc1ccoc1C.Cc1ccsc1C
InChIInChI=1S/C6H9N.C6H8O.C6H8S.4CH4/c3*1-5-3-4-7-6(5)2;;;;/h3-4,7H,1-2H3;2*3-4H,1-2H3;4*1H4
InChIKeyHQNUVQNNHHFWFZ-UHFFFAOYSA-N
XLogP8.44
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.64
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
2-(2-methylfuran-3-yl)sulfinyl-1-(1H-pyrrol-2-yl)ethanone
CID 119039538
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
(2Z)-3-(2-furyl)-N-(2-indol-3-ylethyl)-2-(2-thienylcarbonylamino)prop-2-enamid e
CID 1593404
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
N-(2-furylmethyl)-N-(3-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 46985690
(E)-3-(furan-2-yl)-N-((1-methyl-1H-pyrrol-2-yl)methyl)-N-(thiophen-2-ylmethyl)acrylamide
CID 49754157
2-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrole
CID 18788916
5-[6-(furan-2-yl)-3-methylsulfonyl-3-(1H-pyrrol-2-yl)hexyl]thiophene-2-carboxylic acid
CID 57059798
methyl 5-[6-(furan-2-yl)-3-methylsulfonyl-3-(1H-pyrrol-2-yl)hexyl]thiophene-2-carboxylate
CID 57255187
(4Z)-N-(furan-2-ylmethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 59043157

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane?
The IUPAC name of 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane (CID 158558135) is 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane.
What is the SMILES notation for 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane?
The canonical SMILES for 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane is C.C.C.C.Cc1cc[nH]c1C.Cc1ccoc1C.Cc1ccsc1C.
What is the InChIKey of 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane?
The InChIKey is HQNUVQNNHHFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C6H8O.C6H8S.4CH4/c3*1-5-3-4-7-6(5)2;;;;/h3-4,7H,1-2H3;2*3-4H,1-2H3;4*1H4.
What are the key properties of 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane?
2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane has a molecular weight of 367.64 g/mol, XLogP of 8.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane is sourced from PubChem (CID 158558135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).