2-cyclopropyl-1-ethylindole-3-carbonitrile

C14H14N2 — CID 22689235

IUPAC2-cyclopropyl-1-ethylindole-3-carbonitrile
SMILESCCn1c(C2CC2)c(C#N)c2ccccc21
InChIInChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12(9-15)14(16)10-7-8-10/h3-6,10H,2,7-8H2,1H3
InChIKeySGKWWRGEVZAOBV-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.41
Rot. Bonds2

About 2-cyclopropyl-1-ethylindole-3-carbonitrile

2-cyclopropyl-1-ethylindole-3-carbonitrile (PubChem CID 22689235) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-cyclopropyl-1-ethylindole-3-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-1-ethylindole-3-carbonitrile
PubChem CID22689235
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-cyclopropyl-1-ethylindole-3-carbonitrile
SMILESCCn1c(C2CC2)c(C#N)c2ccccc21
InChIInChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12(9-15)14(16)10-7-8-10/h3-6,10H,2,7-8H2,1H3
InChIKeySGKWWRGEVZAOBV-UHFFFAOYSA-N
XLogP3.41
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-ethylindole-3-carbonitrile?
The IUPAC name of 2-cyclopropyl-1-ethylindole-3-carbonitrile (CID 22689235) is 2-cyclopropyl-1-ethylindole-3-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-1-ethylindole-3-carbonitrile?
The canonical SMILES for 2-cyclopropyl-1-ethylindole-3-carbonitrile is CCn1c(C2CC2)c(C#N)c2ccccc21.
What is the InChIKey of 2-cyclopropyl-1-ethylindole-3-carbonitrile?
The InChIKey is SGKWWRGEVZAOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-16-13-6-4-3-5-11(13)12(9-15)14(16)10-7-8-10/h3-6,10H,2,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-ethylindole-3-carbonitrile?
2-cyclopropyl-1-ethylindole-3-carbonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-ethylindole-3-carbonitrile is sourced from PubChem (CID 22689235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).