2-(7-methoxy-1H-indol-3-yl)acetonitrile

C11H10N2O — CID 604224

IUPAC2-(7-methoxy-1H-indol-3-yl)acetonitrile
SMILESCOc1cccc2c(CC#N)c[nH]c12
InChIInChI=1S/C11H10N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5H2,1H3
InChIKeyVESSMVSYPZPDMA-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.24
Rot. Bonds2

About 2-(7-methoxy-1H-indol-3-yl)acetonitrile

2-(7-methoxy-1H-indol-3-yl)acetonitrile (PubChem CID 604224) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(7-methoxy-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-methoxy-1H-indol-3-yl)acetonitrile
PubChem CID604224
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(7-methoxy-1H-indol-3-yl)acetonitrile
SMILESCOc1cccc2c(CC#N)c[nH]c12
InChIInChI=1S/C11H10N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5H2,1H3
InChIKeyVESSMVSYPZPDMA-UHFFFAOYSA-N
XLogP2.24
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(7-methoxy-1H-indol-3-yl)acetonitrile (CID 604224) is 2-(7-methoxy-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(7-methoxy-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(7-methoxy-1H-indol-3-yl)acetonitrile is COc1cccc2c(CC#N)c[nH]c12.
What is the InChIKey of 2-(7-methoxy-1H-indol-3-yl)acetonitrile?
The InChIKey is VESSMVSYPZPDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-14-10-4-2-3-9-8(5-6-12)7-13-11(9)10/h2-4,7,13H,5H2,1H3.
What are the key properties of 2-(7-methoxy-1H-indol-3-yl)acetonitrile?
2-(7-methoxy-1H-indol-3-yl)acetonitrile has a molecular weight of 186.21 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 604224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).