3-ethenyl-9-(2-methylbutyl)carbazole

C19H21N — CID 69233320

IUPAC3-ethenyl-9-(2-methylbutyl)carbazole
SMILESC=Cc1ccc2c(c1)c1ccccc1n2CC(C)CC
InChIInChI=1S/C19H21N/c1-4-14(3)13-20-18-9-7-6-8-16(18)17-12-15(5-2)10-11-19(17)20/h5-12,14H,2,4,13H2,1,3H3
InChIKeyHYEFYCCGOQZNLE-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.48
Rot. Bonds4

About 3-ethenyl-9-(2-methylbutyl)carbazole

3-ethenyl-9-(2-methylbutyl)carbazole (PubChem CID 69233320) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-ethenyl-9-(2-methylbutyl)carbazole.

Molecular Properties

Compound Name3-ethenyl-9-(2-methylbutyl)carbazole
PubChem CID69233320
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name3-ethenyl-9-(2-methylbutyl)carbazole
SMILESC=Cc1ccc2c(c1)c1ccccc1n2CC(C)CC
InChIInChI=1S/C19H21N/c1-4-14(3)13-20-18-9-7-6-8-16(18)17-12-15(5-2)10-11-19(17)20/h5-12,14H,2,4,13H2,1,3H3
InChIKeyHYEFYCCGOQZNLE-UHFFFAOYSA-N
XLogP5.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-9-(2-methylbutyl)carbazole?
The IUPAC name of 3-ethenyl-9-(2-methylbutyl)carbazole (CID 69233320) is 3-ethenyl-9-(2-methylbutyl)carbazole.
What is the SMILES notation for 3-ethenyl-9-(2-methylbutyl)carbazole?
The canonical SMILES for 3-ethenyl-9-(2-methylbutyl)carbazole is C=Cc1ccc2c(c1)c1ccccc1n2CC(C)CC.
What is the InChIKey of 3-ethenyl-9-(2-methylbutyl)carbazole?
The InChIKey is HYEFYCCGOQZNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-4-14(3)13-20-18-9-7-6-8-16(18)17-12-15(5-2)10-11-19(17)20/h5-12,14H,2,4,13H2,1,3H3.
What are the key properties of 3-ethenyl-9-(2-methylbutyl)carbazole?
3-ethenyl-9-(2-methylbutyl)carbazole has a molecular weight of 263.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-9-(2-methylbutyl)carbazole is sourced from PubChem (CID 69233320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).