methanamine;1-methylpyrrole-2,5-dione;propan-2-one

C9H16N2O3 — CID 91192658

IUPACmethanamine;1-methylpyrrole-2,5-dione;propan-2-one
SMILESCC(C)=O.CN.CN1C(=O)C=CC1=O
InChIInChI=1S/C5H5NO2.C3H6O.CH5N/c1-6-4(7)2-3-5(6)8;1-3(2)4;1-2/h2-3H,1H3;1-2H3;2H2,1H3
InChIKeyFJAFMGZOLPKSQB-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.29
Rot. Bonds

About methanamine;1-methylpyrrole-2,5-dione;propan-2-one

methanamine;1-methylpyrrole-2,5-dione;propan-2-one (PubChem CID 91192658) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methanamine;1-methylpyrrole-2,5-dione;propan-2-one.

Molecular Properties

Compound Namemethanamine;1-methylpyrrole-2,5-dione;propan-2-one
PubChem CID91192658
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethanamine;1-methylpyrrole-2,5-dione;propan-2-one
SMILESCC(C)=O.CN.CN1C(=O)C=CC1=O
InChIInChI=1S/C5H5NO2.C3H6O.CH5N/c1-6-4(7)2-3-5(6)8;1-3(2)4;1-2/h2-3H,1H3;1-2H3;2H2,1H3
InChIKeyFJAFMGZOLPKSQB-UHFFFAOYSA-N
XLogP-0.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;1-methylpyrrole-2,5-dione;propan-2-one?
The IUPAC name of methanamine;1-methylpyrrole-2,5-dione;propan-2-one (CID 91192658) is methanamine;1-methylpyrrole-2,5-dione;propan-2-one.
What is the SMILES notation for methanamine;1-methylpyrrole-2,5-dione;propan-2-one?
The canonical SMILES for methanamine;1-methylpyrrole-2,5-dione;propan-2-one is CC(C)=O.CN.CN1C(=O)C=CC1=O.
What is the InChIKey of methanamine;1-methylpyrrole-2,5-dione;propan-2-one?
The InChIKey is FJAFMGZOLPKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C3H6O.CH5N/c1-6-4(7)2-3-5(6)8;1-3(2)4;1-2/h2-3H,1H3;1-2H3;2H2,1H3.
What are the key properties of methanamine;1-methylpyrrole-2,5-dione;propan-2-one?
methanamine;1-methylpyrrole-2,5-dione;propan-2-one has a molecular weight of 200.24 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methylpyrrole-2,5-dione;propan-2-one is sourced from PubChem (CID 91192658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).