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

C13H12N2O — CID 66573117

IUPAC5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccc[nH]3)cc2c1
InChIInChI=1S/C13H12N2O/c1-16-10-4-5-11-9(7-10)8-13(15-11)12-3-2-6-14-12/h2-8,14-15H,1H3
InChIKeyKNEBPFDRRYRDSQ-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.17
Rot. Bonds2

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

5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole (PubChem CID 66573117) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
PubChem CID66573117
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccc[nH]3)cc2c1
InChIInChI=1S/C13H12N2O/c1-16-10-4-5-11-9(7-10)8-13(15-11)12-3-2-6-14-12/h2-8,14-15H,1H3
InChIKeyKNEBPFDRRYRDSQ-UHFFFAOYSA-N
XLogP3.17
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
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5-(5-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
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2-[4-methoxy-2-(5-methoxy-1H-indol-2-yl)phenyl]acetaldehyde
CID 141043717
2-ethenyl-5-methoxy-1H-indole
CID 11844226
2-(2,5-dimethoxyphenyl)-1H-indole
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CID 174976422

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole?
The IUPAC name of 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole (CID 66573117) is 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole?
The canonical SMILES for 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole is COc1ccc2[nH]c(-c3ccc[nH]3)cc2c1.
What is the InChIKey of 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole?
The InChIKey is KNEBPFDRRYRDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-16-10-4-5-11-9(7-10)8-13(15-11)12-3-2-6-14-12/h2-8,14-15H,1H3.
What are the key properties of 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole?
5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole has a molecular weight of 212.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(1H-pyrrol-2-yl)-1H-indole is sourced from PubChem (CID 66573117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).