9-benzyl-3-[(E)-prop-1-enyl]carbazole

C22H19N — CID 89489502

IUPAC9-benzyl-3-[(E)-prop-1-enyl]carbazole
SMILESC/C=C/c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C22H19N/c1-2-8-17-13-14-22-20(15-17)19-11-6-7-12-21(19)23(22)16-18-9-4-3-5-10-18/h2-15H,16H2,1H3/b8-2+
InChIKeyYJRUFTRUSMJTGZ-KRXBUXKQSA-N
MW297.40 g/mol
LogP5.88
Rot. Bonds3

About 9-benzyl-3-[(E)-prop-1-enyl]carbazole

9-benzyl-3-[(E)-prop-1-enyl]carbazole (PubChem CID 89489502) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 9-benzyl-3-[(E)-prop-1-enyl]carbazole.

Molecular Properties

Compound Name9-benzyl-3-[(E)-prop-1-enyl]carbazole
PubChem CID89489502
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name9-benzyl-3-[(E)-prop-1-enyl]carbazole
SMILESC/C=C/c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C22H19N/c1-2-8-17-13-14-22-20(15-17)19-11-6-7-12-21(19)23(22)16-18-9-4-3-5-10-18/h2-15H,16H2,1H3/b8-2+
InChIKeyYJRUFTRUSMJTGZ-KRXBUXKQSA-N
XLogP5.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-[(E)-prop-1-enyl]carbazole?
The IUPAC name of 9-benzyl-3-[(E)-prop-1-enyl]carbazole (CID 89489502) is 9-benzyl-3-[(E)-prop-1-enyl]carbazole.
What is the SMILES notation for 9-benzyl-3-[(E)-prop-1-enyl]carbazole?
The canonical SMILES for 9-benzyl-3-[(E)-prop-1-enyl]carbazole is C/C=C/c1ccc2c(c1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-[(E)-prop-1-enyl]carbazole?
The InChIKey is YJRUFTRUSMJTGZ-KRXBUXKQSA-N. The full InChI is InChI=1S/C22H19N/c1-2-8-17-13-14-22-20(15-17)19-11-6-7-12-21(19)23(22)16-18-9-4-3-5-10-18/h2-15H,16H2,1H3/b8-2+.
What are the key properties of 9-benzyl-3-[(E)-prop-1-enyl]carbazole?
9-benzyl-3-[(E)-prop-1-enyl]carbazole has a molecular weight of 297.40 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-[(E)-prop-1-enyl]carbazole is sourced from PubChem (CID 89489502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).