5-pentan-3-yl-1H-indole-3-carbonitrile

C14H16N2 — CID 142876816

IUPAC5-pentan-3-yl-1H-indole-3-carbonitrile
SMILESCCC(CC)c1ccc2[nH]cc(C#N)c2c1
InChIInChI=1S/C14H16N2/c1-3-10(4-2)11-5-6-14-13(7-11)12(8-15)9-16-14/h5-7,9-10,16H,3-4H2,1-2H3
InChIKeyUWGLQQTXKVFKAR-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.94
Rot. Bonds3

About 5-pentan-3-yl-1H-indole-3-carbonitrile

5-pentan-3-yl-1H-indole-3-carbonitrile (PubChem CID 142876816) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-pentan-3-yl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name5-pentan-3-yl-1H-indole-3-carbonitrile
PubChem CID142876816
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-pentan-3-yl-1H-indole-3-carbonitrile
SMILESCCC(CC)c1ccc2[nH]cc(C#N)c2c1
InChIInChI=1S/C14H16N2/c1-3-10(4-2)11-5-6-14-13(7-11)12(8-15)9-16-14/h5-7,9-10,16H,3-4H2,1-2H3
InChIKeyUWGLQQTXKVFKAR-UHFFFAOYSA-N
XLogP3.94
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1H-indole-3-carbonitrile?
The IUPAC name of 5-pentan-3-yl-1H-indole-3-carbonitrile (CID 142876816) is 5-pentan-3-yl-1H-indole-3-carbonitrile.
What is the SMILES notation for 5-pentan-3-yl-1H-indole-3-carbonitrile?
The canonical SMILES for 5-pentan-3-yl-1H-indole-3-carbonitrile is CCC(CC)c1ccc2[nH]cc(C#N)c2c1.
What is the InChIKey of 5-pentan-3-yl-1H-indole-3-carbonitrile?
The InChIKey is UWGLQQTXKVFKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-10(4-2)11-5-6-14-13(7-11)12(8-15)9-16-14/h5-7,9-10,16H,3-4H2,1-2H3.
What are the key properties of 5-pentan-3-yl-1H-indole-3-carbonitrile?
5-pentan-3-yl-1H-indole-3-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1H-indole-3-carbonitrile is sourced from PubChem (CID 142876816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).