N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione

C12H16N2O2 — CID 145056952

IUPACN-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione
SMILESCNC.O=C1C=CC(=O)N1c1ccccc1.[H][H]
InChIInChI=1S/C10H7NO2.C2H7N.H2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-3-2;/h1-7H;3H,1-2H3;1H
InChIKeyDAWDIWGTXLTMIZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.20
Rot. Bonds1

About N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione

N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione (PubChem CID 145056952) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound NameN-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione
PubChem CID145056952
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione
SMILESCNC.O=C1C=CC(=O)N1c1ccccc1.[H][H]
InChIInChI=1S/C10H7NO2.C2H7N.H2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-3-2;/h1-7H;3H,1-2H3;1H
InChIKeyDAWDIWGTXLTMIZ-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
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 N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione?
The IUPAC name of N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione (CID 145056952) is N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione.
What is the SMILES notation for N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione?
The canonical SMILES for N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione is CNC.O=C1C=CC(=O)N1c1ccccc1.[H][H].
What is the InChIKey of N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione?
The InChIKey is DAWDIWGTXLTMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C2H7N.H2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-3-2;/h1-7H;3H,1-2H3;1H.
What are the key properties of N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione?
N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione has a molecular weight of 220.27 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;molecular hydrogen;1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 145056952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).