(2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate

C13H13NO5 — CID 90087076

IUPAC(2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESC=C1CCC(=O)C1OC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H13NO5/c1-8-2-3-9(15)13(8)19-12(18)6-7-14-10(16)4-5-11(14)17/h4-5,13H,1-3,6-7H2
InChIKeyATWYZLXZEAPDPN-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.13
Rot. Bonds4

About (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate

(2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate (PubChem CID 90087076) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate.

Molecular Properties

Compound Name(2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate
PubChem CID90087076
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate
SMILESC=C1CCC(=O)C1OC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C13H13NO5/c1-8-2-3-9(15)13(8)19-12(18)6-7-14-10(16)4-5-11(14)17/h4-5,13H,1-3,6-7H2
InChIKeyATWYZLXZEAPDPN-UHFFFAOYSA-N
XLogP0.13
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxocyclopentyl) 6-(2,5-dioxopyrrolidin-1-yl)hexanoate
CID 171475250
1-O-(2,5-dioxocyclopentyl) 11-O-(2,5-dioxopyrrolidin-1-yl) 6,6-bis[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentyl]undecanedioate;1-[10-(2,5-dioxopyrrol-1-yl)-6-[[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[2-[6-(2,5-dioxopyrrol-1-yl)-2-[[7-(2,5-dioxopyrrol-1-yl)-2-[4-(2,5-dioxopyrrol-1-yl)-2-oxobutyl]-5-oxoheptoxy]methyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]ethyl]-4-oxohexoxy]methyl]-3,8-dioxodecyl]pyrrole-2,5-dione
CID 158935692
N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
3-oxatricyclo[3.2.1.02,4]octan-6-yl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 21305622
2-[3-(2,5-dioxopyrrol-1-yl)propanoyloxy]ethyl 2-bromopropanoate
CID 143162840
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate;1-[2-(2,5-dioxopyrrol-1-yl)ethyl]pyrrole-2,5-dione
CID 159972941
3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878
1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde
CID 160814240
1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
6-(2,5-dioxopyrrol-1-yl)hexanoyl sulfite
CID 174655893
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
CID 77078335

Frequently Asked Questions

What is the IUPAC name of (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
The IUPAC name of (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate (CID 90087076) is (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate.
What is the SMILES notation for (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
The canonical SMILES for (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate is C=C1CCC(=O)C1OC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
The InChIKey is ATWYZLXZEAPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-8-2-3-9(15)13(8)19-12(18)6-7-14-10(16)4-5-11(14)17/h4-5,13H,1-3,6-7H2.
What are the key properties of (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate?
(2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate has a molecular weight of 263.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidene-5-oxocyclopentyl) 3-(2,5-dioxopyrrol-1-yl)propanoate is sourced from PubChem (CID 90087076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).