2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile

C18H22N2 — CID 84742964

IUPAC2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)C(CC#N)CCC3
InChIInChI=1S/C18H22N2/c1-18(2,3)13-7-8-15-14(11-13)17-12(9-10-19)5-4-6-16(17)20-15/h7-8,11-12,20H,4-6,9H2,1-3H3
InChIKeyHTTUNTULBKBINB-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.80
Rot. Bonds1

About 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile

2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile (PubChem CID 84742964) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
PubChem CID84742964
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
SMILESCC(C)(C)c1ccc2[nH]c3c(c2c1)C(CC#N)CCC3
InChIInChI=1S/C18H22N2/c1-18(2,3)13-7-8-15-14(11-13)17-12(9-10-19)5-4-6-16(17)20-15/h7-8,11-12,20H,4-6,9H2,1-3H3
InChIKeyHTTUNTULBKBINB-UHFFFAOYSA-N
XLogP4.80
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
The IUPAC name of 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile (CID 84742964) is 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
The canonical SMILES for 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile is CC(C)(C)c1ccc2[nH]c3c(c2c1)C(CC#N)CCC3.
What is the InChIKey of 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
The InChIKey is HTTUNTULBKBINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-18(2,3)13-7-8-15-14(11-13)17-12(9-10-19)5-4-6-16(17)20-15/h7-8,11-12,20H,4-6,9H2,1-3H3.
What are the key properties of 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile has a molecular weight of 266.39 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile is sourced from PubChem (CID 84742964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).