3-(1H-indol-7-yl)propanenitrile;propanenitrile

C14H15N3 — CID 157211357

IUPAC3-(1H-indol-7-yl)propanenitrile;propanenitrile
SMILESCCC#N.N#CCCc1cccc2cc[nH]c12
InChIInChI=1S/C11H10N2.C3H5N/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10;1-2-3-4/h1,3-4,6,8,13H,2,5H2;2H2,1H3
InChIKeyARXQFAVTLDUUAU-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.54
Rot. Bonds2

About 3-(1H-indol-7-yl)propanenitrile;propanenitrile

3-(1H-indol-7-yl)propanenitrile;propanenitrile (PubChem CID 157211357) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1H-indol-7-yl)propanenitrile;propanenitrile.

Molecular Properties

Compound Name3-(1H-indol-7-yl)propanenitrile;propanenitrile
PubChem CID157211357
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name3-(1H-indol-7-yl)propanenitrile;propanenitrile
SMILESCCC#N.N#CCCc1cccc2cc[nH]c12
InChIInChI=1S/C11H10N2.C3H5N/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10;1-2-3-4/h1,3-4,6,8,13H,2,5H2;2H2,1H3
InChIKeyARXQFAVTLDUUAU-UHFFFAOYSA-N
XLogP3.54
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-7-yl)propanenitrile;propanenitrile?
The IUPAC name of 3-(1H-indol-7-yl)propanenitrile;propanenitrile (CID 157211357) is 3-(1H-indol-7-yl)propanenitrile;propanenitrile.
What is the SMILES notation for 3-(1H-indol-7-yl)propanenitrile;propanenitrile?
The canonical SMILES for 3-(1H-indol-7-yl)propanenitrile;propanenitrile is CCC#N.N#CCCc1cccc2cc[nH]c12.
What is the InChIKey of 3-(1H-indol-7-yl)propanenitrile;propanenitrile?
The InChIKey is ARXQFAVTLDUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.C3H5N/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10;1-2-3-4/h1,3-4,6,8,13H,2,5H2;2H2,1H3.
What are the key properties of 3-(1H-indol-7-yl)propanenitrile;propanenitrile?
3-(1H-indol-7-yl)propanenitrile;propanenitrile has a molecular weight of 225.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-7-yl)propanenitrile;propanenitrile is sourced from PubChem (CID 157211357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).