2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one

C19H24O3 — CID 3709426

IUPAC2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one
SMILESCOc1cccc(C=C2CCC(C3CCCC3)C2=O)c1OC
InChIInChI=1S/C19H24O3/c1-21-17-9-5-8-15(19(17)22-2)12-14-10-11-16(18(14)20)13-6-3-4-7-13/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3
InChIKeyQFCPGGBPTDDVEU-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.26
Rot. Bonds4

About 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one

2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one (PubChem CID 3709426) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one
PubChem CID3709426
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one
SMILESCOc1cccc(C=C2CCC(C3CCCC3)C2=O)c1OC
InChIInChI=1S/C19H24O3/c1-21-17-9-5-8-15(19(17)22-2)12-14-10-11-16(18(14)20)13-6-3-4-7-13/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3
InChIKeyQFCPGGBPTDDVEU-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
CID 67064616
(2E)-2-[(2,3-dimethoxyphenyl)methylidene]-3H-inden-1-one
CID 2342691
(3Z,5E)-3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-ethylpiperidin-1-ium-4-one
CID 2390435
(2Z,4Z)-2,4-bis[(2,3-dimethoxyphenyl)methylidene]thiolan-3-one
CID 46246656
(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]-4-methylcyclohexan-1-one
CID 157263030
(1R,2E,4Z,5R)-2,4-bis[(2,3-dimethoxyphenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98185544
(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 127025458
3,5-bis[(2,3-dimethoxyphenyl)methylidene]-1-propylpiperidin-4-one
CID 1067759
(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 155806484
(5E)-3-(cyclohexylmethyl)-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126135295
4-[(2,3-dimethoxyphenyl)methylidene]-8-methyl-2,3-dihydro-1H-pyrido[2,1-b]quinazolin-11-one
CID 56607096
2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
CID 43471351

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one (CID 3709426) is 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one is COc1cccc(C=C2CCC(C3CCCC3)C2=O)c1OC.
What is the InChIKey of 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one?
The InChIKey is QFCPGGBPTDDVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-21-17-9-5-8-15(19(17)22-2)12-14-10-11-16(18(14)20)13-6-3-4-7-13/h5,8-9,12-13,16H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one?
2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one has a molecular weight of 300.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(2,3-dimethoxyphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 3709426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).