3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one

C14H20O2 — CID 86741491

IUPAC3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(C)C(O/C=C\CCC)CC1=O
InChIInChI=1S/C14H20O2/c1-4-6-7-9-16-14-10-13(15)12(8-5-2)11(14)3/h5,7,9,14H,2,4,6,8,10H2,1,3H3/b9-7-
InChIKeyNZBWULGCZXUVNW-CLFYSBASSA-N
MW220.31 g/mol
LogP3.55
Rot. Bonds6

About 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one

3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one (PubChem CID 86741491) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one
PubChem CID86741491
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one
SMILESC=CCC1=C(C)C(O/C=C\CCC)CC1=O
InChIInChI=1S/C14H20O2/c1-4-6-7-9-16-14-10-13(15)12(8-5-2)11(14)3/h5,7,9,14H,2,4,6,8,10H2,1,3H3/b9-7-
InChIKeyNZBWULGCZXUVNW-CLFYSBASSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-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

3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl 3-methylbut-2-enoate
CID 225871
2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl acetate
CID 13102760
methyl (Z)-7-(3-methoxy-5-oxocyclopenten-1-yl)hept-5-enoate
CID 70584921
(2R)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 16220370
5-methyl-2-[(E)-prop-1-enyl]-2,3-dihydropyran-4-one
CID 24829035
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one
CID 101049557
2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 102385261
2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one
CID 134859165
2-[(Z)-oct-1-en-3-ynyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran-4-one
CID 135016262
4-Methoxy-2,3-dipropylcyclopent-2-en-1-one
CID 21676999
(1S)-2-Methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl acetate
CID 13102761
4-Ethoxy-2-ethylcyclopent-2-en-1-one
CID 13117141

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one?
The IUPAC name of 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one (CID 86741491) is 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one is C=CCC1=C(C)C(O/C=C\CCC)CC1=O.
What is the InChIKey of 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one?
The InChIKey is NZBWULGCZXUVNW-CLFYSBASSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-6-7-9-16-14-10-13(15)12(8-5-2)11(14)3/h5,7,9,14H,2,4,6,8,10H2,1,3H3/b9-7-.
What are the key properties of 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one?
3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(Z)-pent-1-enoxy]-2-prop-2-enylcyclopent-2-en-1-one is sourced from PubChem (CID 86741491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).