2-(1-methylindol-3-yl)acetonitrile

C11H10N2 — CID 10654720

IUPAC2-(1-methylindol-3-yl)acetonitrile
SMILESCn1cc(CC#N)c2ccccc21
InChIInChI=1S/C11H10N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChIKeyDHAXZZYQEUESTH-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.24
Rot. Bonds1

About 2-(1-methylindol-3-yl)acetonitrile

2-(1-methylindol-3-yl)acetonitrile (PubChem CID 10654720) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)acetonitrile
PubChem CID10654720
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-(1-methylindol-3-yl)acetonitrile
SMILESCn1cc(CC#N)c2ccccc21
InChIInChI=1S/C11H10N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3
InChIKeyDHAXZZYQEUESTH-UHFFFAOYSA-N
XLogP2.24
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)acetonitrile?
The IUPAC name of 2-(1-methylindol-3-yl)acetonitrile (CID 10654720) is 2-(1-methylindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-methylindol-3-yl)acetonitrile?
The canonical SMILES for 2-(1-methylindol-3-yl)acetonitrile is Cn1cc(CC#N)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)acetonitrile?
The InChIKey is DHAXZZYQEUESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-13-8-9(6-7-12)10-4-2-3-5-11(10)13/h2-5,8H,6H2,1H3.
What are the key properties of 2-(1-methylindol-3-yl)acetonitrile?
2-(1-methylindol-3-yl)acetonitrile has a molecular weight of 170.21 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)acetonitrile is sourced from PubChem (CID 10654720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).