2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole

C25H36N2OS — CID 158805589

IUPAC2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole
SMILESCc1cccn1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C
InChIInChI=1S/C7H11N.C6H9N.C6H8O.C6H8S/c1-6-4-5-8(3)7(6)2;1-6-4-3-5-7(6)2;2*1-5-3-4-7-6(5)2/h4-5H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyIUAPNZXNRKMBEV-UHFFFAOYSA-N
MW412.64 g/mol
LogP7.24
Rot. Bonds

About 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole

2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole (PubChem CID 158805589) has the molecular formula C25H36N2OS and a molecular weight of 412.64 g/mol. Its IUPAC name is 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole.

Molecular Properties

Compound Name2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole
PubChem CID158805589
Molecular FormulaC25H36N2OS
Molecular Weight412.64 g/mol
Exact Mass412.25
IUPAC Name2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole
SMILESCc1cccn1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C
InChIInChI=1S/C7H11N.C6H9N.C6H8O.C6H8S/c1-6-4-5-8(3)7(6)2;1-6-4-3-5-7(6)2;2*1-5-3-4-7-6(5)2/h4-5H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3
InChIKeyIUAPNZXNRKMBEV-UHFFFAOYSA-N
XLogP7.24
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.64
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 16293900
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
2-Chloro-1,4-dimethylpyrrole;2-chloro-4-methylfuran;2-chloro-4-methylthiophene;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1,4-dimethyl-2-(trifluoromethyl)pyrrole;4-methyl-2-(trifluoromethyl)furan;2-methyl-5-(trifluoromethyl)thiophene;4-methyl-2-(trifluoromethyl)thiophene
CID 161875321
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
diethyl 2-[(E)-furan-2-ylmethylideneamino]-5-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-3,4-dicarboxylate
CID 139090669
1-(5-ethylpyridin-2-yl)-N-(2-furylmethyl)-N-(3-thienylmethyl)methanamine
CID 46986574
2,5-dimethyl-N-((1-methyl-1H-pyrrol-2-yl)methyl)-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 49676593
(E)-3-(furan-2-yl)-N-((1-methyl-1H-pyrrol-2-yl)methyl)-N-(thiophen-2-ylmethyl)acrylamide
CID 49754157
2-(Furan-2-yl)-1-methyl-4-thiophen-2-ylpyrrole
CID 10944238

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole?
The IUPAC name of 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole (CID 158805589) is 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole.
What is the SMILES notation for 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole?
The canonical SMILES for 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole is Cc1cccn1C.Cc1ccn(C)c1C.Cc1ccoc1C.Cc1ccsc1C.
What is the InChIKey of 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole?
The InChIKey is IUAPNZXNRKMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H9N.C6H8O.C6H8S/c1-6-4-5-8(3)7(6)2;1-6-4-3-5-7(6)2;2*1-5-3-4-7-6(5)2/h4-5H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole?
2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole has a molecular weight of 412.64 g/mol, XLogP of 7.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;1,2-dimethylpyrrole;2,3-dimethylthiophene;1,2,3-trimethylpyrrole is sourced from PubChem (CID 158805589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).