7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine

C22H26N2 — CID 67141824

IUPAC7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine
SMILESC=Cc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1
InChIInChI=1S/C22H26N2/c1-6-18-7-9-19(10-8-18)21-22-20(11-13-23-21)16(4)17(5)24(22)14-12-15(2)3/h6-11,13,15H,1,12,14H2,2-5H3
InChIKeyJSKRMQRVKFCZJQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.01
Rot. Bonds5

About 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine

7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141824) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine
PubChem CID67141824
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine
SMILESC=Cc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1
InChIInChI=1S/C22H26N2/c1-6-18-7-9-19(10-8-18)21-22-20(11-13-23-21)16(4)17(5)24(22)14-12-15(2)3/h6-11,13,15H,1,12,14H2,2-5H3
InChIKeyJSKRMQRVKFCZJQ-UHFFFAOYSA-N
XLogP6.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine (CID 67141824) is 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine is C=Cc1ccc(-c2nccc3c(C)c(C)n(CCC(C)C)c23)cc1.
What is the InChIKey of 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine?
The InChIKey is JSKRMQRVKFCZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-6-18-7-9-19(10-8-18)21-22-20(11-13-23-21)16(4)17(5)24(22)14-12-15(2)3/h6-11,13,15H,1,12,14H2,2-5H3.
What are the key properties of 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine?
7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine has a molecular weight of 318.46 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethenylphenyl)-2,3-dimethyl-1-(3-methylbutyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).