5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione

C18H22N2O6 — CID 143182877

IUPAC5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCN1C(=O)C=CC1=O.O=CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/2C9H11NO3/c1-7(11)3-2-6-10-8(12)4-5-9(10)13;11-7-3-1-2-6-10-8(12)4-5-9(10)13/h4-5H,2-3,6H2,1H3;4-5,7H,1-3,6H2
InChIKeyNKFJZGQTASVLQW-UHFFFAOYSA-N
MW362.38 g/mol
LogP0.56
Rot. Bonds9

About 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione

5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione (PubChem CID 143182877) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione
PubChem CID143182877
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCN1C(=O)C=CC1=O.O=CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/2C9H11NO3/c1-7(11)3-2-6-10-8(12)4-5-9(10)13;11-7-3-1-2-6-10-8(12)4-5-9(10)13/h4-5H,2-3,6H2,1H3;4-5,7H,1-3,6H2
InChIKeyNKFJZGQTASVLQW-UHFFFAOYSA-N
XLogP0.56
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethane;1-(5-oxohexyl)pyrrole-2,5-dione;propan-2-one
CID 90813857
5-(2,5-Dioxopyrrol-1-yl)pentanal
CID 132055090
1-(5-Oxohexyl)pyrrole-2,5-dione;1-(4-oxopentyl)pyrrole-2,5-dione
CID 143182881
(Z)-N-methyl-4-oxo-N-(5-oxohexyl)but-2-enamide
CID 144894990
6-(2,5-dioxopyrrol-1-yl)hexanal;N-methoxy-N-methyl-4-oxobutanamide
CID 153371736
N,N-bis[2-(2,5-dioxopyrrol-1-yl)ethyl]-4-oxopentanamide
CID 156306422
6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-[(Z)-4-oxobut-2-enoyl]hexanamide
CID 177233761
5-(2,5-Dioxopyrrol-1-yl)-3-oxopentanal
CID 59862145

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione (CID 143182877) is 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione is CC(=O)CCCN1C(=O)C=CC1=O.O=CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione?
The InChIKey is NKFJZGQTASVLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO3/c1-7(11)3-2-6-10-8(12)4-5-9(10)13;11-7-3-1-2-6-10-8(12)4-5-9(10)13/h4-5H,2-3,6H2,1H3;4-5,7H,1-3,6H2.
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione?
5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione has a molecular weight of 362.38 g/mol, XLogP of 0.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)pentanal;1-(4-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 143182877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).