1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione

C9H13NO3 — CID 43346056

IUPAC1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione
SMILESCOCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C9H13NO3/c1-7-6-8(11)10(9(7)12)4-3-5-13-2/h6H,3-5H2,1-2H3
InChIKeyYPCAQYBRCBYSHC-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione

1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione (PubChem CID 43346056) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione
PubChem CID43346056
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione
SMILESCOCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C9H13NO3/c1-7-6-8(11)10(9(7)12)4-3-5-13-2/h6H,3-5H2,1-2H3
InChIKeyYPCAQYBRCBYSHC-UHFFFAOYSA-N
XLogP0.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Maleimide, N-ethyl-2-methyl-
CID 35753
1,3-dimethyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12412995
tert-butyl 4-methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 11116988
N-butyl-3-methyl-2,5-dihydro-2-pyrrolone
CID 13331586
1-(2-methoxyethyl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 43346041
1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
CID 12119846
1,4-dimethyl-2H-pyrrol-5-one
CID 12394646
3-Methyl-1-propylpyrrole-2,5-dione
CID 15697210
1-Butyl-3-methyl-1H-pyrrole-2,5-dione
CID 19068312
1-Allyl-3,4-dimethyl-pyrrol-2,5-dione
CID 20141232
N-(3-prenyl)-maleimide
CID 22472409
N-methyl-N-methacryl-crotonamide
CID 129721434

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione (CID 43346056) is 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione is COCCCN1C(=O)C=C(C)C1=O.
What is the InChIKey of 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione?
The InChIKey is YPCAQYBRCBYSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-7-6-8(11)10(9(7)12)4-3-5-13-2/h6H,3-5H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione?
1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 43346056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).