2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile

C13H14N2O — CID 102571165

IUPAC2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile
SMILESCCc1cccc2c1N(C)C(=O)C2CC#N
InChIInChI=1S/C13H14N2O/c1-3-9-5-4-6-10-11(7-8-14)13(16)15(2)12(9)10/h4-6,11H,3,7H2,1-2H3
InChIKeyCIPKTQICQNPBQN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.22
Rot. Bonds2

About 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile

2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile (PubChem CID 102571165) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile
PubChem CID102571165
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile
SMILESCCc1cccc2c1N(C)C(=O)C2CC#N
InChIInChI=1S/C13H14N2O/c1-3-9-5-4-6-10-11(7-8-14)13(16)15(2)12(9)10/h4-6,11H,3,7H2,1-2H3
InChIKeyCIPKTQICQNPBQN-UHFFFAOYSA-N
XLogP2.22
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile (CID 102571165) is 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile is CCc1cccc2c1N(C)C(=O)C2CC#N.
What is the InChIKey of 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile?
The InChIKey is CIPKTQICQNPBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-9-5-4-6-10-11(7-8-14)13(16)15(2)12(9)10/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile?
2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1-methyl-2-oxo-3H-indol-3-yl)acetonitrile is sourced from PubChem (CID 102571165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).