4-naphthalen-2-ylbut-3-ynenitrile

C14H9N — CID 170474971

IUPAC4-naphthalen-2-ylbut-3-ynenitrile
SMILESN#CCC#Cc1ccc2ccccc2c1
InChIInChI=1S/C14H9N/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-2,6-9,11H,4H2
InChIKeyRZQHVEUYLWRWHZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP3.10
Rot. Bonds

About 4-naphthalen-2-ylbut-3-ynenitrile

4-naphthalen-2-ylbut-3-ynenitrile (PubChem CID 170474971) has the molecular formula C14H9N and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-naphthalen-2-ylbut-3-ynenitrile.

Molecular Properties

Compound Name4-naphthalen-2-ylbut-3-ynenitrile
PubChem CID170474971
Molecular FormulaC14H9N
Molecular Weight191.23 g/mol
Exact Mass191.07
IUPAC Name4-naphthalen-2-ylbut-3-ynenitrile
SMILESN#CCC#Cc1ccc2ccccc2c1
InChIInChI=1S/C14H9N/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-2,6-9,11H,4H2
InChIKeyRZQHVEUYLWRWHZ-UHFFFAOYSA-N
XLogP3.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylbut-3-ynenitrile?
The IUPAC name of 4-naphthalen-2-ylbut-3-ynenitrile (CID 170474971) is 4-naphthalen-2-ylbut-3-ynenitrile.
What is the SMILES notation for 4-naphthalen-2-ylbut-3-ynenitrile?
The canonical SMILES for 4-naphthalen-2-ylbut-3-ynenitrile is N#CCC#Cc1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-ylbut-3-ynenitrile?
The InChIKey is RZQHVEUYLWRWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N/c15-10-4-3-5-12-8-9-13-6-1-2-7-14(13)11-12/h1-2,6-9,11H,4H2.
What are the key properties of 4-naphthalen-2-ylbut-3-ynenitrile?
4-naphthalen-2-ylbut-3-ynenitrile has a molecular weight of 191.23 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylbut-3-ynenitrile is sourced from PubChem (CID 170474971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).