1-(methoxymethyl)pyrrole-2,5-dione

C6H7NO3 — CID 19421213

IUPAC1-(methoxymethyl)pyrrole-2,5-dione
SMILESCOCN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO3/c1-10-4-7-5(8)2-3-6(7)9/h2-3H,4H2,1H3
InChIKeyKDCVXMIQEMNZQW-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.48
Rot. Bonds2

About 1-(methoxymethyl)pyrrole-2,5-dione

1-(methoxymethyl)pyrrole-2,5-dione (PubChem CID 19421213) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-(methoxymethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(methoxymethyl)pyrrole-2,5-dione
PubChem CID19421213
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-(methoxymethyl)pyrrole-2,5-dione
SMILESCOCN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO3/c1-10-4-7-5(8)2-3-6(7)9/h2-3H,4H2,1H3
InChIKeyKDCVXMIQEMNZQW-UHFFFAOYSA-N
XLogP-0.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmaleimide
CID 4362
N-Methylmaleimide
CID 70261
N-Isopropylmaleimide
CID 14088
Bis(N-maleimidomethyl)ether
CID 84836
N-Methylolmaleimide
CID 227678
N-Allylmaleimide
CID 18098
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
2H-Pyrrol-2-one, 1,5-dihydro-1-methyl-
CID 535819
N-(Methoxycarbonyl)maleimide
CID 580610
1-(2-Methoxy-ethyl)-pyrrole-2,5-dione
CID 2759573
N-(Acetoxymethyl)maleimide
CID 227680
Maleimide, N-chloromethyl-
CID 24359

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(methoxymethyl)pyrrole-2,5-dione (CID 19421213) is 1-(methoxymethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(methoxymethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(methoxymethyl)pyrrole-2,5-dione is COCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(methoxymethyl)pyrrole-2,5-dione?
The InChIKey is KDCVXMIQEMNZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-10-4-7-5(8)2-3-6(7)9/h2-3H,4H2,1H3.
What are the key properties of 1-(methoxymethyl)pyrrole-2,5-dione?
1-(methoxymethyl)pyrrole-2,5-dione has a molecular weight of 141.13 g/mol, XLogP of -0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyrrole-2,5-dione is sourced from PubChem (CID 19421213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).