6-methyl-3-prop-2-enylchromen-2-one

C13H12O2 — CID 101488026

IUPAC6-methyl-3-prop-2-enylchromen-2-one
SMILESC=CCc1cc2cc(C)ccc2oc1=O
InChIInChI=1S/C13H12O2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h3,5-8H,1,4H2,2H3
InChIKeySGEAXYNOTPITBR-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.83
Rot. Bonds2

About 6-methyl-3-prop-2-enylchromen-2-one

6-methyl-3-prop-2-enylchromen-2-one (PubChem CID 101488026) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-methyl-3-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-enylchromen-2-one
PubChem CID101488026
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name6-methyl-3-prop-2-enylchromen-2-one
SMILESC=CCc1cc2cc(C)ccc2oc1=O
InChIInChI=1S/C13H12O2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h3,5-8H,1,4H2,2H3
InChIKeySGEAXYNOTPITBR-UHFFFAOYSA-N
XLogP2.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3-(3-methylbut-2-enyl)chromen-2-one
CID 134990013
6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
CID 135210411
5-methyl-2-prop-2-enylaniline
CID 45078970
6-methyl-2-oxochromene-3-sulfonamide
CID 141216239
1-(5-methyl-1-benzofuran-2-yl)but-3-enylhydrazine
CID 105269594
6-bromo-3-ethylchromen-2-one
CID 53243812
6-methyl-3-(3-methylphenyl)chromen-2-one
CID 56594232
3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-methylchromen-2-one
CID 134912179
3-(1-hydroxy-3-oxobut-1-enyl)-6-methylchromen-2-one
CID 132990964
CID 159547054
CID 159547054
(7-methyl-2-oxochromen-3-yl)methyl hypoiodite
CID 155721397
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
CID 10355547

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-enylchromen-2-one?
The IUPAC name of 6-methyl-3-prop-2-enylchromen-2-one (CID 101488026) is 6-methyl-3-prop-2-enylchromen-2-one.
What is the SMILES notation for 6-methyl-3-prop-2-enylchromen-2-one?
The canonical SMILES for 6-methyl-3-prop-2-enylchromen-2-one is C=CCc1cc2cc(C)ccc2oc1=O.
What is the InChIKey of 6-methyl-3-prop-2-enylchromen-2-one?
The InChIKey is SGEAXYNOTPITBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-3-4-10-8-11-7-9(2)5-6-12(11)15-13(10)14/h3,5-8H,1,4H2,2H3.
What are the key properties of 6-methyl-3-prop-2-enylchromen-2-one?
6-methyl-3-prop-2-enylchromen-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-enylchromen-2-one is sourced from PubChem (CID 101488026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).