3-pyrido[3,4-b]indol-9-ylpropanenitrile

C14H11N3 — CID 91665992

IUPAC3-pyrido[3,4-b]indol-9-ylpropanenitrile
SMILESN#CCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C14H11N3/c15-7-3-9-17-13-5-2-1-4-11(13)12-6-8-16-10-14(12)17/h1-2,4-6,8,10H,3,9H2
InChIKeyIMIBDCQOJFBSTB-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.10
Rot. Bonds2

About 3-pyrido[3,4-b]indol-9-ylpropanenitrile

3-pyrido[3,4-b]indol-9-ylpropanenitrile (PubChem CID 91665992) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-pyrido[3,4-b]indol-9-ylpropanenitrile.

Molecular Properties

Compound Name3-pyrido[3,4-b]indol-9-ylpropanenitrile
PubChem CID91665992
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-pyrido[3,4-b]indol-9-ylpropanenitrile
SMILESN#CCCn1c2ccccc2c2ccncc21
InChIInChI=1S/C14H11N3/c15-7-3-9-17-13-5-2-1-4-11(13)12-6-8-16-10-14(12)17/h1-2,4-6,8,10H,3,9H2
InChIKeyIMIBDCQOJFBSTB-UHFFFAOYSA-N
XLogP3.10
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
The IUPAC name of 3-pyrido[3,4-b]indol-9-ylpropanenitrile (CID 91665992) is 3-pyrido[3,4-b]indol-9-ylpropanenitrile.
What is the SMILES notation for 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
The canonical SMILES for 3-pyrido[3,4-b]indol-9-ylpropanenitrile is N#CCCn1c2ccccc2c2ccncc21.
What is the InChIKey of 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
The InChIKey is IMIBDCQOJFBSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-7-3-9-17-13-5-2-1-4-11(13)12-6-8-16-10-14(12)17/h1-2,4-6,8,10H,3,9H2.
What are the key properties of 3-pyrido[3,4-b]indol-9-ylpropanenitrile?
3-pyrido[3,4-b]indol-9-ylpropanenitrile has a molecular weight of 221.26 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrido[3,4-b]indol-9-ylpropanenitrile is sourced from PubChem (CID 91665992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).