methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione

C11H17NO3 — CID 165140988

IUPACmethane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
SMILESC.CC(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.CH4/c1-7(2)8(12)5-6-11-9(13)3-4-10(11)14;/h3-4,7H,5-6H2,1-2H3;1H4
InChIKeyVMRASXORRKGATD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.16
Rot. Bonds4

About methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione

methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione (PubChem CID 165140988) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Namemethane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
PubChem CID165140988
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
SMILESC.CC(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3.CH4/c1-7(2)8(12)5-6-11-9(13)3-4-10(11)14;/h3-4,7H,5-6H2,1-2H3;1H4
InChIKeyVMRASXORRKGATD-UHFFFAOYSA-N
XLogP1.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione (CID 165140988) is methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione is C.CC(C)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
The InChIKey is VMRASXORRKGATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.CH4/c1-7(2)8(12)5-6-11-9(13)3-4-10(11)14;/h3-4,7H,5-6H2,1-2H3;1H4.
What are the key properties of methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 165140988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).