1-prop-2-enylnaphthalene

C13H12 — CID 17217

IUPAC1-prop-2-enylnaphthalene
SMILESC=CCc1cccc2ccccc12
InChIInChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
InChIKeyRJFCFNWLPJRCLR-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.57
Rot. Bonds2

About 1-prop-2-enylnaphthalene

1-prop-2-enylnaphthalene (PubChem CID 17217) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-prop-2-enylnaphthalene.

Molecular Properties

Compound Name1-prop-2-enylnaphthalene
PubChem CID17217
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name1-prop-2-enylnaphthalene
SMILESC=CCc1cccc2ccccc12
InChIInChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
InChIKeyRJFCFNWLPJRCLR-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylnaphthalene?
The IUPAC name of 1-prop-2-enylnaphthalene (CID 17217) is 1-prop-2-enylnaphthalene.
What is the SMILES notation for 1-prop-2-enylnaphthalene?
The canonical SMILES for 1-prop-2-enylnaphthalene is C=CCc1cccc2ccccc12.
What is the InChIKey of 1-prop-2-enylnaphthalene?
The InChIKey is RJFCFNWLPJRCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2.
What are the key properties of 1-prop-2-enylnaphthalene?
1-prop-2-enylnaphthalene has a molecular weight of 168.24 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylnaphthalene is sourced from PubChem (CID 17217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).