1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde

C13H12N2O5 — CID 160814240

IUPAC1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde
SMILESC=C(CCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O.C=O
InChIInChI=1S/C12H10N2O4.CH2O/c1-8(14-11(17)4-5-12(14)18)6-7-13-9(15)2-3-10(13)16;1-2/h2-5H,1,6-7H2;1H2
InChIKeySERVLKJCULODFW-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.44
Rot. Bonds4

About 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde

1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde (PubChem CID 160814240) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde
PubChem CID160814240
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde
SMILESC=C(CCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O.C=O
InChIInChI=1S/C12H10N2O4.CH2O/c1-8(14-11(17)4-5-12(14)18)6-7-13-9(15)2-3-10(13)16;1-2/h2-5H,1,6-7H2;1H2
InChIKeySERVLKJCULODFW-UHFFFAOYSA-N
XLogP-0.44
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
3-(2,5-dioxopyrrol-1-yl)propanoic acid;propanoic acid
CID 159459878
1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
CID 23385993
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
3-(2,5-dioxopyrrol-1-yl)-N-prop-2-ynylpropanamide
CID 10149082
1-(2-phosphanylethyl)pyrrole-2,5-dione
CID 170722879
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
CID 159620252
CID 159620252
2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid
CID 140634868
potassium 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 172866330

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde?
The IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde (CID 160814240) is 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde?
The canonical SMILES for 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde is C=C(CCN1C(=O)C=CC1=O)N1C(=O)C=CC1=O.C=O.
What is the InChIKey of 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde?
The InChIKey is SERVLKJCULODFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4.CH2O/c1-8(14-11(17)4-5-12(14)18)6-7-13-9(15)2-3-10(13)16;1-2/h2-5H,1,6-7H2;1H2.
What are the key properties of 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde?
1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde has a molecular weight of 276.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrol-1-yl)but-3-enyl]pyrrole-2,5-dione;formaldehyde is sourced from PubChem (CID 160814240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).