1-methyl-2-prop-2-enylbenzene

C10H12 — CID 15317

IUPAC1-methyl-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1C
InChIInChI=1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3
InChIKeySVIHJJUMPAUQNO-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.72
Rot. Bonds2

About 1-methyl-2-prop-2-enylbenzene

1-methyl-2-prop-2-enylbenzene (PubChem CID 15317) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-methyl-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methyl-2-prop-2-enylbenzene
PubChem CID15317
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1-methyl-2-prop-2-enylbenzene
SMILESC=CCc1ccccc1C
InChIInChI=1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3
InChIKeySVIHJJUMPAUQNO-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.72
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-methyl-2-prop-2-enylbenzene?
The IUPAC name of 1-methyl-2-prop-2-enylbenzene (CID 15317) is 1-methyl-2-prop-2-enylbenzene.
What is the SMILES notation for 1-methyl-2-prop-2-enylbenzene?
The canonical SMILES for 1-methyl-2-prop-2-enylbenzene is C=CCc1ccccc1C.
What is the InChIKey of 1-methyl-2-prop-2-enylbenzene?
The InChIKey is SVIHJJUMPAUQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3.
What are the key properties of 1-methyl-2-prop-2-enylbenzene?
1-methyl-2-prop-2-enylbenzene has a molecular weight of 132.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-prop-2-enylbenzene is sourced from PubChem (CID 15317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).