2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile

C16H18N2 — CID 84741213

IUPAC2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
SMILESCc1cc(C)c2[nH]c3c(c2c1)C(CC#N)CCC3
InChIInChI=1S/C16H18N2/c1-10-8-11(2)16-13(9-10)15-12(6-7-17)4-3-5-14(15)18-16/h8-9,12,18H,3-6H2,1-2H3
InChIKeyYLVHWRTWMRQNBT-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.12
Rot. Bonds1

About 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile

2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile (PubChem CID 84741213) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
PubChem CID84741213
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
SMILESCc1cc(C)c2[nH]c3c(c2c1)C(CC#N)CCC3
InChIInChI=1S/C16H18N2/c1-10-8-11(2)16-13(9-10)15-12(6-7-17)4-3-5-14(15)18-16/h8-9,12,18H,3-6H2,1-2H3
InChIKeyYLVHWRTWMRQNBT-UHFFFAOYSA-N
XLogP4.12
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.12
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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Related Compounds

6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-ol
CID 65332833
2-(6-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile
CID 84742964
1-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-N-methylmethanamine
CID 84630510
2-(7,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetic acid
CID 84742392
6-methoxy-N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84741634
7,9-dimethyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indole
CID 84622011
6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
CID 83528405
1-(7-chloro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
CID 84742733
5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630864
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-N-methylmethanamine
CID 84740967
2,2,4,4,6,8-hexamethyl-3,9-dihydro-1H-carbazole
CID 103961478
2-(5,7-dimethyl-1H-indol-3-yl)acetonitrile
CID 82490743

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
The IUPAC name of 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile (CID 84741213) is 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
The canonical SMILES for 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile is Cc1cc(C)c2[nH]c3c(c2c1)C(CC#N)CCC3.
What is the InChIKey of 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
The InChIKey is YLVHWRTWMRQNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-10-8-11(2)16-13(9-10)15-12(6-7-17)4-3-5-14(15)18-16/h8-9,12,18H,3-6H2,1-2H3.
What are the key properties of 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile?
2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile has a molecular weight of 238.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)acetonitrile is sourced from PubChem (CID 84741213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).