5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one

C9H12O2 — CID 139354471

IUPAC5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one
SMILESC/C=C\C1=C(C)C(=O)OCC1
InChIInChI=1S/C9H12O2/c1-3-4-8-5-6-11-9(10)7(8)2/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyXAASDNNRXQJVDM-ARJAWSKDSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds1

About 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one

5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one (PubChem CID 139354471) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one
PubChem CID139354471
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one
SMILESC/C=C\C1=C(C)C(=O)OCC1
InChIInChI=1S/C9H12O2/c1-3-4-8-5-6-11-9(10)7(8)2/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyXAASDNNRXQJVDM-ARJAWSKDSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one (CID 139354471) is 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one is C/C=C\C1=C(C)C(=O)OCC1.
What is the InChIKey of 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one?
The InChIKey is XAASDNNRXQJVDM-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-4-8-5-6-11-9(10)7(8)2/h3-4H,5-6H2,1-2H3/b4-3-.
What are the key properties of 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one?
5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one has a molecular weight of 152.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 139354471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).