8-prop-1-en-2-ylnaphthalene-2-carbonitrile

C14H11N — CID 22627618

IUPAC8-prop-1-en-2-ylnaphthalene-2-carbonitrile
SMILESC=C(C)c1cccc2ccc(C#N)cc12
InChIInChI=1S/C14H11N/c1-10(2)13-5-3-4-12-7-6-11(9-15)8-14(12)13/h3-8H,1H2,2H3
InChIKeyIEJMBOWRAZYQOL-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.74
Rot. Bonds1

About 8-prop-1-en-2-ylnaphthalene-2-carbonitrile

8-prop-1-en-2-ylnaphthalene-2-carbonitrile (PubChem CID 22627618) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is 8-prop-1-en-2-ylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name8-prop-1-en-2-ylnaphthalene-2-carbonitrile
PubChem CID22627618
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Name8-prop-1-en-2-ylnaphthalene-2-carbonitrile
SMILESC=C(C)c1cccc2ccc(C#N)cc12
InChIInChI=1S/C14H11N/c1-10(2)13-5-3-4-12-7-6-11(9-15)8-14(12)13/h3-8H,1H2,2H3
InChIKeyIEJMBOWRAZYQOL-UHFFFAOYSA-N
XLogP3.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-prop-1-en-2-ylnaphthalene-2-carbonitrile?
The IUPAC name of 8-prop-1-en-2-ylnaphthalene-2-carbonitrile (CID 22627618) is 8-prop-1-en-2-ylnaphthalene-2-carbonitrile.
What is the SMILES notation for 8-prop-1-en-2-ylnaphthalene-2-carbonitrile?
The canonical SMILES for 8-prop-1-en-2-ylnaphthalene-2-carbonitrile is C=C(C)c1cccc2ccc(C#N)cc12.
What is the InChIKey of 8-prop-1-en-2-ylnaphthalene-2-carbonitrile?
The InChIKey is IEJMBOWRAZYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c1-10(2)13-5-3-4-12-7-6-11(9-15)8-14(12)13/h3-8H,1H2,2H3.
What are the key properties of 8-prop-1-en-2-ylnaphthalene-2-carbonitrile?
8-prop-1-en-2-ylnaphthalene-2-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-1-en-2-ylnaphthalene-2-carbonitrile is sourced from PubChem (CID 22627618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).