5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole

C14H14N2O — CID 69300712

IUPAC5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
SMILESCOc1ccc2c(c1)c(-c1ccc[nH]1)cn2C
InChIInChI=1S/C14H14N2O/c1-16-9-12(13-4-3-7-15-13)11-8-10(17-2)5-6-14(11)16/h3-9,15H,1-2H3
InChIKeyXWULUECHSLWMCL-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.18
Rot. Bonds2

About 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole

5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole (PubChem CID 69300712) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
PubChem CID69300712
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
SMILESCOc1ccc2c(c1)c(-c1ccc[nH]1)cn2C
InChIInChI=1S/C14H14N2O/c1-16-9-12(13-4-3-7-15-13)11-8-10(17-2)5-6-14(11)16/h3-9,15H,1-2H3
InChIKeyXWULUECHSLWMCL-UHFFFAOYSA-N
XLogP3.18
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole?
The IUPAC name of 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole (CID 69300712) is 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole.
What is the SMILES notation for 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole?
The canonical SMILES for 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole is COc1ccc2c(c1)c(-c1ccc[nH]1)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole?
The InChIKey is XWULUECHSLWMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-16-9-12(13-4-3-7-15-13)11-8-10(17-2)5-6-14(11)16/h3-9,15H,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole?
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole has a molecular weight of 226.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole is sourced from PubChem (CID 69300712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).