1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine

C18H18N2 — CID 67141768

IUPAC1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(C)c2c(/C=C/c3ccccc3)nccc12
InChIInChI=1S/C18H18N2/c1-13-14(2)20(3)18-16(13)11-12-19-17(18)10-9-15-7-5-4-6-8-15/h4-12H,1-3H3/b10-9+
InChIKeyBLLZRBYZIYTVQD-MDZDMXLPSA-N
MW262.36 g/mol
LogP4.36
Rot. Bonds2

About 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine

1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine (PubChem CID 67141768) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine
PubChem CID67141768
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(C)c2c(/C=C/c3ccccc3)nccc12
InChIInChI=1S/C18H18N2/c1-13-14(2)20(3)18-16(13)11-12-19-17(18)10-9-15-7-5-4-6-8-15/h4-12H,1-3H3/b10-9+
InChIKeyBLLZRBYZIYTVQD-MDZDMXLPSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine (CID 67141768) is 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine is Cc1c(C)n(C)c2c(/C=C/c3ccccc3)nccc12.
What is the InChIKey of 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine?
The InChIKey is BLLZRBYZIYTVQD-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-14(2)20(3)18-16(13)11-12-19-17(18)10-9-15-7-5-4-6-8-15/h4-12H,1-3H3/b10-9+.
What are the key properties of 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine?
1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine has a molecular weight of 262.36 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-7-[(E)-2-phenylethenyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).