3-(cyclopentylmethylidene)pyrrolidine-2,5-dione

C10H13NO2 — CID 77039986

IUPAC3-(cyclopentylmethylidene)pyrrolidine-2,5-dione
SMILESO=C1CC(=CC2CCCC2)C(=O)N1
InChIInChI=1S/C10H13NO2/c12-9-6-8(10(13)11-9)5-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,11,12,13)
InChIKeyGUXYJMCCLVSOCY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.15
Rot. Bonds1

About 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione

3-(cyclopentylmethylidene)pyrrolidine-2,5-dione (PubChem CID 77039986) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(cyclopentylmethylidene)pyrrolidine-2,5-dione
PubChem CID77039986
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-(cyclopentylmethylidene)pyrrolidine-2,5-dione
SMILESO=C1CC(=CC2CCCC2)C(=O)N1
InChIInChI=1S/C10H13NO2/c12-9-6-8(10(13)11-9)5-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,11,12,13)
InChIKeyGUXYJMCCLVSOCY-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,8E)-2,8-bis(cyclohexylmethylidene)cyclooctan-1-one
CID 6446444
(7E)-7-(cyclohexylmethylidene)-5,6-dihydrofuro[3,2-c]pyridin-4-one
CID 134859848
3-heptylidenepyrrolidine-2,5-dione
CID 141176728
(3Z)-3-(4-hydroxybutylidene)pyrrolidine-2,5-dione
CID 87141360
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216
3-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methylidene]pyrrolidine-2,5-dione
CID 77039891
cyclopentane;3-(cyclopentylmethylidene)-1H-indol-2-one;iron(2+)
CID 154701298
(2,5-dioxopyrrolidin-3-ylidene)methyl prop-2-enoate
CID 66822275
cyclopropylidenemethylcyclopentane
CID 148648629
3-(3-ethylheptylidene)pyrrolidine-2,5-dione
CID 140607684
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
3-[(3,5-dimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 77039937

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione (CID 77039986) is 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione is O=C1CC(=CC2CCCC2)C(=O)N1.
What is the InChIKey of 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione?
The InChIKey is GUXYJMCCLVSOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-9-6-8(10(13)11-9)5-7-3-1-2-4-7/h5,7H,1-4,6H2,(H,11,12,13).
What are the key properties of 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione?
3-(cyclopentylmethylidene)pyrrolidine-2,5-dione has a molecular weight of 179.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 77039986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).