2,2,3-trimethyl-4-propylcarbazole

C18H21N — CID 21480324

IUPAC2,2,3-trimethyl-4-propylcarbazole
SMILESCCCC1=C(C)C(C)(C)C=C2N=c3ccccc3=C21
InChIInChI=1S/C18H21N/c1-5-8-13-12(2)18(3,4)11-16-17(13)14-9-6-7-10-15(14)19-16/h6-7,9-11H,5,8H2,1-4H3
InChIKeyWOTMYEHLVGRDTI-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.51
Rot. Bonds2

About 2,2,3-trimethyl-4-propylcarbazole

2,2,3-trimethyl-4-propylcarbazole (PubChem CID 21480324) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-propylcarbazole.

Molecular Properties

Compound Name2,2,3-trimethyl-4-propylcarbazole
PubChem CID21480324
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2,2,3-trimethyl-4-propylcarbazole
SMILESCCCC1=C(C)C(C)(C)C=C2N=c3ccccc3=C21
InChIInChI=1S/C18H21N/c1-5-8-13-12(2)18(3,4)11-16-17(13)14-9-6-7-10-15(14)19-16/h6-7,9-11H,5,8H2,1-4H3
InChIKeyWOTMYEHLVGRDTI-UHFFFAOYSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 14941339
2,2-Dimethylcarbazole
CID 18471893
4,4-Dimethylcarbazole
CID 20098137
2,2,3-Trimethylcarbazole
CID 21880529
Spiro[carbazole-2,1'-cyclohexane]
CID 21886814
Cyclopenta[c]carbazole
CID 21887219
3,4,4-Trimethylcarbazole
CID 22250977
3,4-dihydro-2H-carbazole
CID 56625553
2-methyl-4,6-dihydro-3H-cyclopenta[b]pyridine
CID 58213716
2-tert-butyl-4H-indole
CID 67269557

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-propylcarbazole?
The IUPAC name of 2,2,3-trimethyl-4-propylcarbazole (CID 21480324) is 2,2,3-trimethyl-4-propylcarbazole.
What is the SMILES notation for 2,2,3-trimethyl-4-propylcarbazole?
The canonical SMILES for 2,2,3-trimethyl-4-propylcarbazole is CCCC1=C(C)C(C)(C)C=C2N=c3ccccc3=C21.
What is the InChIKey of 2,2,3-trimethyl-4-propylcarbazole?
The InChIKey is WOTMYEHLVGRDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-5-8-13-12(2)18(3,4)11-16-17(13)14-9-6-7-10-15(14)19-16/h6-7,9-11H,5,8H2,1-4H3.
What are the key properties of 2,2,3-trimethyl-4-propylcarbazole?
2,2,3-trimethyl-4-propylcarbazole has a molecular weight of 251.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-propylcarbazole is sourced from PubChem (CID 21480324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).