3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

C8H10O2 — CID 134894905

IUPAC3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1C(=O)C=C1OC
InChIInChI=1S/C8H10O2/c1-5(2)8-6(9)4-7(8)10-3/h4,8H,1H2,2-3H3
InChIKeyOKHBFZYKQRGKBW-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.29
Rot. Bonds2

About 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one

3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (PubChem CID 134894905) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
PubChem CID134894905
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
SMILESC=C(C)C1C(=O)C=C1OC
InChIInChI=1S/C8H10O2/c1-5(2)8-6(9)4-7(8)10-3/h4,8H,1H2,2-3H3
InChIKeyOKHBFZYKQRGKBW-UHFFFAOYSA-N
XLogP1.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
4-Ethenyl-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 134874438
3-Methoxy-2-methyl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134877714
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
2,3,6-Trimethyl-2,3-dihydropyran-4-one
CID 53783191
(Z)-3-ethyl-6-methoxy-7-methyloct-5-en-4-one
CID 117801335
(Z)-3,7-diethyl-6-methoxynon-5-en-4-one
CID 117801340
(Z)-5-ethyl-2-methoxyhept-2-en-4-one
CID 124113742
(Z)-3-ethyl-6-methoxy-8-methylnon-5-en-4-one
CID 124113743
(Z)-6-ethyl-5-methoxy-2-methyloct-4-en-3-one
CID 131982508
3-Acetyl-6-methyl-2,3-dihydropyran-4-one
CID 85519731
(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577164

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The IUPAC name of 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one (CID 134894905) is 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one.
What is the SMILES notation for 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The canonical SMILES for 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is C=C(C)C1C(=O)C=C1OC.
What is the InChIKey of 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
The InChIKey is OKHBFZYKQRGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5(2)8-6(9)4-7(8)10-3/h4,8H,1H2,2-3H3.
What are the key properties of 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one?
3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one has a molecular weight of 138.17 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one is sourced from PubChem (CID 134894905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).