4-pyrrolidin-1-ylnaphthalene-1-carbonitrile

C15H14N2 — CID 11715539

IUPAC4-pyrrolidin-1-ylnaphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
InChIKeyJFYXSLMZYFZVGC-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.31
Rot. Bonds1

About 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile

4-pyrrolidin-1-ylnaphthalene-1-carbonitrile (PubChem CID 11715539) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-pyrrolidin-1-ylnaphthalene-1-carbonitrile
PubChem CID11715539
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-pyrrolidin-1-ylnaphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCCC2)c2ccccc12
InChIInChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
InChIKeyJFYXSLMZYFZVGC-UHFFFAOYSA-N
XLogP3.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
The IUPAC name of 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile (CID 11715539) is 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile.
What is the SMILES notation for 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
The canonical SMILES for 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile is N#Cc1ccc(N2CCCC2)c2ccccc12.
What is the InChIKey of 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
The InChIKey is JFYXSLMZYFZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2.
What are the key properties of 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile?
4-pyrrolidin-1-ylnaphthalene-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylnaphthalene-1-carbonitrile is sourced from PubChem (CID 11715539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).