4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one

C9H12O2 — CID 10017253

IUPAC4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
SMILESC=C1C(=O)C(C)=CC1(C)OC
InChIInChI=1S/C9H12O2/c1-6-5-9(3,11-4)7(2)8(6)10/h5H,2H2,1,3-4H3
InChIKeyRRVRVFAGBDMNJF-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.48
Rot. Bonds1

About 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one

4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one (PubChem CID 10017253) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
PubChem CID10017253
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
SMILESC=C1C(=O)C(C)=CC1(C)OC
InChIInChI=1S/C9H12O2/c1-6-5-9(3,11-4)7(2)8(6)10/h5H,2H2,1,3-4H3
InChIKeyRRVRVFAGBDMNJF-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
1-(1-Oxaspiro[4.5]dec-3-en-3-yl)ethanone
CID 12166420
4-Methoxy-2-(2-methylprop-1-enyl)cyclopent-2-en-1-one
CID 130037748
4-Butyl-4-methoxy-2-methylcyclohexa-2,5-dien-1-one
CID 134893641
[(Z)-(2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene)methyl]-(2,2,2-trifluoroacetyl)oxymercury
CID 16686381
(5Z)-4-methoxy-2,3,4-trimethyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 9992899
(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 10104759
(5Z)-4-methoxy-2,3,4-trimethyl-5-[(E)-non-2-en-5-ylidene]cyclopent-2-en-1-one
CID 10401246
(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10403621
(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10444716
chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10474469
chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 10477713

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one?
The IUPAC name of 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one (CID 10017253) is 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one?
The canonical SMILES for 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one is C=C1C(=O)C(C)=CC1(C)OC.
What is the InChIKey of 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one?
The InChIKey is RRVRVFAGBDMNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-5-9(3,11-4)7(2)8(6)10/h5H,2H2,1,3-4H3.
What are the key properties of 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one?
4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one is sourced from PubChem (CID 10017253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).