2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole

C17H19NO — CID 3746539

IUPAC2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole
SMILESCc1cc(C(C)c2cc3ccccc3n2C)oc1C
InChIInChI=1S/C17H19NO/c1-11-9-17(19-13(11)3)12(2)16-10-14-7-5-6-8-15(14)18(16)4/h5-10,12H,1-4H3
InChIKeyFQULKSOXBBYHBG-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.54
Rot. Bonds2

About 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole

2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole (PubChem CID 3746539) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole.

Molecular Properties

Compound Name2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole
PubChem CID3746539
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole
SMILESCc1cc(C(C)c2cc3ccccc3n2C)oc1C
InChIInChI=1S/C17H19NO/c1-11-9-17(19-13(11)3)12(2)16-10-14-7-5-6-8-15(14)18(16)4/h5-10,12H,1-4H3
InChIKeyFQULKSOXBBYHBG-UHFFFAOYSA-N
XLogP4.54
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
2-amino-2-(1-methylindol-2-yl)ethanol
CID 55270563
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
(3R)-3-hydroxy-3-(1-methylindol-2-yl)propanoic acid
CID 96609351
2-(dimethylamino)-2-(1-methylindol-2-yl)acetonitrile
CID 15175186
CID 175336040
CID 175336040
2-methyl-1-(1-methylindol-2-yl)buta-2,3-dien-1-ol
CID 54756628
benzene;1-methyl-2-phenylindole
CID 158316839
1-methoxy-2-propan-2-ylindole
CID 68858925
1-iodo-2-propan-2-ylindole
CID 126585308
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
2-[(1Z)-buta-1,3-dienyl]-1-methylindole
CID 142244714

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole?
The IUPAC name of 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole (CID 3746539) is 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole.
What is the SMILES notation for 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole?
The canonical SMILES for 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole is Cc1cc(C(C)c2cc3ccccc3n2C)oc1C.
What is the InChIKey of 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole?
The InChIKey is FQULKSOXBBYHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-11-9-17(19-13(11)3)12(2)16-10-14-7-5-6-8-15(14)18(16)4/h5-10,12H,1-4H3.
What are the key properties of 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole?
2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole has a molecular weight of 253.34 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dimethylfuran-2-yl)ethyl]-1-methylindole is sourced from PubChem (CID 3746539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).