prop-2-enylbenzene

C9H10 — CID 9309

IUPACprop-2-enylbenzene
SMILESC=CCc1ccccc1
InChIInChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InChIKeyHJWLCRVIBGQPNF-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.42
Rot. Bonds2

About prop-2-enylbenzene

prop-2-enylbenzene (PubChem CID 9309) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is prop-2-enylbenzene.

Molecular Properties

Compound Nameprop-2-enylbenzene
PubChem CID9309
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Nameprop-2-enylbenzene
SMILESC=CCc1ccccc1
InChIInChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InChIKeyHJWLCRVIBGQPNF-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.42
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 prop-2-enylbenzene?
The IUPAC name of prop-2-enylbenzene (CID 9309) is prop-2-enylbenzene.
What is the SMILES notation for prop-2-enylbenzene?
The canonical SMILES for prop-2-enylbenzene is C=CCc1ccccc1.
What is the InChIKey of prop-2-enylbenzene?
The InChIKey is HJWLCRVIBGQPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2.
What are the key properties of prop-2-enylbenzene?
prop-2-enylbenzene has a molecular weight of 118.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylbenzene is sourced from PubChem (CID 9309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).