3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one

C10H12O2 — CID 142279321

IUPAC3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one
SMILESC=CC1=C(C(=C)C)C(=O)COC1
InChIInChI=1S/C10H12O2/c1-4-8-5-12-6-9(11)10(8)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyVJOMRNDQAXPBKW-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.64
Rot. Bonds2

About 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one

3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one (PubChem CID 142279321) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one
PubChem CID142279321
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one
SMILESC=CC1=C(C(=C)C)C(=O)COC1
InChIInChI=1S/C10H12O2/c1-4-8-5-12-6-9(11)10(8)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyVJOMRNDQAXPBKW-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3-propyl-2H-pyran-5-one
CID 11745027
6,6-Dimethoxy-5-methylcyclohexa-2,4-dien-1-one
CID 101085250
5-Ethyl-6,6-dimethoxycyclohexa-2,4-dien-1-one
CID 101899226
6-Ethoxycyclohexadienone
CID 129821929
(4Z)-3-ethoxy-4-(1-fluoroethenyl)hepta-4,6-dien-2-one
CID 144482396
6-methoxy-4-methyl-2H-chromene-5,8-dione
CID 13842690
4a,10a-Dihydroxanthen-4-one
CID 18614999
(E)-4-(3,6-dihydro-2H-pyran-4-yl)but-3-en-2-one
CID 18689527
4a,11-Dihydrobenzo[d][1]benzoxepin-7-one
CID 20454050
1-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 21986131
5-Methoxy-6-oxocyclohexa-1,3-diene-1-carbaldehyde
CID 23080788
4-(3,6-dihydro-2H-pyran-4-yl)but-3-en-2-one
CID 53916810

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one?
The IUPAC name of 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one (CID 142279321) is 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one.
What is the SMILES notation for 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one?
The canonical SMILES for 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one is C=CC1=C(C(=C)C)C(=O)COC1.
What is the InChIKey of 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one?
The InChIKey is VJOMRNDQAXPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-8-5-12-6-9(11)10(8)7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one?
3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one has a molecular weight of 164.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-prop-1-en-2-yl-2H-pyran-5-one is sourced from PubChem (CID 142279321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).