2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one

C14H14O2 — CID 67064982

IUPAC2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
SMILESC=C1CCC(=Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C14H14O2/c1-10-6-7-12(14(10)15)8-11-4-3-5-13(9-11)16-2/h3-5,8-9H,1,6-7H2,2H3
InChIKeyGQXHLDNUDJPGOB-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.00
Rot. Bonds2

About 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one

2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one (PubChem CID 67064982) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
PubChem CID67064982
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
SMILESC=C1CCC(=Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C14H14O2/c1-10-6-7-12(14(10)15)8-11-4-3-5-13(9-11)16-2/h3-5,8-9H,1,6-7H2,2H3
InChIKeyGQXHLDNUDJPGOB-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
(2E,5E)-2-[(3-bromophenyl)methylidene]-5-[(3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 118366091
(2E)-2-benzylidene-5-[(3,5-dimethoxyphenyl)methylidene]cyclopentan-1-one
CID 154112357
5-methoxy-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642958
(4E)-7-fluoro-4-[(3-methoxyphenyl)methylidene]-2,3-dihydro-1-benzoxepin-5-one
CID 24650425
(3Z,5E)-1-(cyclopropylmethyl)-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-4-one
CID 51129084
(3E,5E)-1-benzyl-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 2388260
2-[(4-methoxyphenyl)methylidene]-5-[(3-nitrophenyl)methylidene]cyclopentan-1-one
CID 71899687
(2E)-6-methoxy-2-[(3-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2054595
(2Z)-2-[(3-methoxyphenyl)methylidene]-4-phenoxycyclohexan-1-one
CID 68642752
(2Z)-4-(hydroxymethyl)-2-[(3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642810
(5Z)-2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride
CID 6516823

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one?
The IUPAC name of 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one (CID 67064982) is 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one is C=C1CCC(=Cc2cccc(OC)c2)C1=O.
What is the InChIKey of 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one?
The InChIKey is GQXHLDNUDJPGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10-6-7-12(14(10)15)8-11-4-3-5-13(9-11)16-2/h3-5,8-9H,1,6-7H2,2H3.
What are the key properties of 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one?
2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one has a molecular weight of 214.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one is sourced from PubChem (CID 67064982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).