methane;1-(2-oxopropyl)pyrrole-2,5-dione

C10H19NO3 — CID 158929127

IUPACmethane;1-(2-oxopropyl)pyrrole-2,5-dione
SMILESC.C.C.CC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3.3CH4/c1-5(9)4-8-6(10)2-3-7(8)11;;;/h2-3H,4H2,1H3;3*1H4
InChIKeyJIUZODUJQCPHME-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.41
Rot. Bonds2

About methane;1-(2-oxopropyl)pyrrole-2,5-dione

methane;1-(2-oxopropyl)pyrrole-2,5-dione (PubChem CID 158929127) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methane;1-(2-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Namemethane;1-(2-oxopropyl)pyrrole-2,5-dione
PubChem CID158929127
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethane;1-(2-oxopropyl)pyrrole-2,5-dione
SMILESC.C.C.CC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3.3CH4/c1-5(9)4-8-6(10)2-3-7(8)11;;;/h2-3H,4H2,1H3;3*1H4
InChIKeyJIUZODUJQCPHME-UHFFFAOYSA-N
XLogP1.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.41
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-Butylmaleimide
CID 239780
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
1-Isobutyl-1h-pyrrole-2,5-dione
CID 244598
1-(3-oxobutyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 53802263
1-(3-Dimethylaminopropyl)-1H-pyrrole-2,5-dione
CID 151256
1-(Butan-2-yl)-1H-pyrrole-2,5-dione
CID 19388273
Ethene;1-propylpyrrole-2,5-dione
CID 285261
1-[3-(diethylamino)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 217846
3-(2,5-Dioxopyrrol-1-yl)propyl-trimethylazanium
CID 12293420
1-(2,2-Dimethylpropyl)pyrrole-2,5-dione
CID 12858663
N,N-Bis(2-oxopropyl)prop-2-enamide
CID 13190002
Gold(1+);1-propylpyrrole-2,5-dione
CID 18958281

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-oxopropyl)pyrrole-2,5-dione?
The IUPAC name of methane;1-(2-oxopropyl)pyrrole-2,5-dione (CID 158929127) is methane;1-(2-oxopropyl)pyrrole-2,5-dione.
What is the SMILES notation for methane;1-(2-oxopropyl)pyrrole-2,5-dione?
The canonical SMILES for methane;1-(2-oxopropyl)pyrrole-2,5-dione is C.C.C.CC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of methane;1-(2-oxopropyl)pyrrole-2,5-dione?
The InChIKey is JIUZODUJQCPHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.3CH4/c1-5(9)4-8-6(10)2-3-7(8)11;;;/h2-3H,4H2,1H3;3*1H4.
What are the key properties of methane;1-(2-oxopropyl)pyrrole-2,5-dione?
methane;1-(2-oxopropyl)pyrrole-2,5-dione has a molecular weight of 201.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 158929127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).