2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile

C13H16N2 — CID 67262655

IUPAC2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
SMILESCN1c2ccccc2C(C)(C)C1CC#N
InChIInChI=1S/C13H16N2/c1-13(2)10-6-4-5-7-11(10)15(3)12(13)8-9-14/h4-7,12H,8H2,1-3H3
InChIKeyUZTDEFPEWCOPBO-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.70
Rot. Bonds1

About 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile

2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile (PubChem CID 67262655) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
PubChem CID67262655
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
SMILESCN1c2ccccc2C(C)(C)C1CC#N
InChIInChI=1S/C13H16N2/c1-13(2)10-6-4-5-7-11(10)15(3)12(13)8-9-14/h4-7,12H,8H2,1-3H3
InChIKeyUZTDEFPEWCOPBO-UHFFFAOYSA-N
XLogP2.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Methylindoline
CID 23305
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
(-)-Debromoflustramine B
CID 10403152
2-Indolinethione, 1,3-dimethyl-
CID 26157
2,3,3-Trimethylindoline
CID 10942760
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
CID 744368
2-Methyl-5-((E)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224878
NOP agonist-1
CID 129188459
(+/-)-debromoflustramine B
CID 496015

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile?
The IUPAC name of 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile (CID 67262655) is 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile?
The canonical SMILES for 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile is CN1c2ccccc2C(C)(C)C1CC#N.
What is the InChIKey of 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile?
The InChIKey is UZTDEFPEWCOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-13(2)10-6-4-5-7-11(10)15(3)12(13)8-9-14/h4-7,12H,8H2,1-3H3.
What are the key properties of 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile?
2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile is sourced from PubChem (CID 67262655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).