4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one

C12H14O2 — CID 121014615

IUPAC4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one
SMILESC=CC1(C)C=COC2=C1C(=O)CCC2
InChIInChI=1S/C12H14O2/c1-3-12(2)7-8-14-10-6-4-5-9(13)11(10)12/h3,7-8H,1,4-6H2,2H3
InChIKeyDWNQTIOODTZYOT-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.73
Rot. Bonds1

About 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one

4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one (PubChem CID 121014615) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one.

Molecular Properties

Compound Name4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one
PubChem CID121014615
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one
SMILESC=CC1(C)C=COC2=C1C(=O)CCC2
InChIInChI=1S/C12H14O2/c1-3-12(2)7-8-14-10-6-4-5-9(13)11(10)12/h3,7-8H,1,4-6H2,2H3
InChIKeyDWNQTIOODTZYOT-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one?
The IUPAC name of 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one (CID 121014615) is 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one.
What is the SMILES notation for 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one?
The canonical SMILES for 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one is C=CC1(C)C=COC2=C1C(=O)CCC2.
What is the InChIKey of 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one?
The InChIKey is DWNQTIOODTZYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-12(2)7-8-14-10-6-4-5-9(13)11(10)12/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one?
4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one has a molecular weight of 190.24 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methyl-7,8-dihydro-6H-chromen-5-one is sourced from PubChem (CID 121014615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).