5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one

C9H12O2 — CID 24829035

IUPAC5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one
SMILESC/C=C/C1CC(=O)C(C)=CO1
InChIInChI=1S/C9H12O2/c1-3-4-8-5-9(10)7(2)6-11-8/h3-4,6,8H,5H2,1-2H3/b4-3+
InChIKeyLOYFRHSFFFQDAO-ONEGZZNKSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one

5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one (PubChem CID 24829035) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one
PubChem CID24829035
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one
SMILESC/C=C/C1CC(=O)C(C)=CO1
InChIInChI=1S/C9H12O2/c1-3-4-8-5-9(10)7(2)6-11-8/h3-4,6,8H,5H2,1-2H3/b4-3+
InChIKeyLOYFRHSFFFQDAO-ONEGZZNKSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 163003273
(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
2-(Methoxymethyl)-1,4-benzoquinone
CID 5314224
3-Ethoxymethyl-5,6-dimethylbenzo-1,4-quinone
CID 129853872
4-Methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one
CID 130037748
2-(1-Ethoxyethyl)cyclohexa-2,5-diene-1,4-dione
CID 15462984
2-(1-Methoxyethyl)-5-methylcyclohexa-2,5-diene-1,4-dione
CID 57053705
3-Methyl-4-pent-1-enoxy-2-prop-2-enylcyclopent-2-en-1-one
CID 57215908
3-Methyl-4a,8a-dihydrochromen-4-one
CID 57887871
2-Ethyl-4-methoxycyclopent-2-en-1-one
CID 59962734

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one?
The IUPAC name of 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one (CID 24829035) is 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one.
What is the SMILES notation for 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one?
The canonical SMILES for 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one is C/C=C/C1CC(=O)C(C)=CO1.
What is the InChIKey of 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one?
The InChIKey is LOYFRHSFFFQDAO-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-4-8-5-9(10)7(2)6-11-8/h3-4,6,8H,5H2,1-2H3/b4-3+.
What are the key properties of 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one?
5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one is sourced from PubChem (CID 24829035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).