4-[3-(methylamino)propyl]morpholine-3,5-dione

C8H14N2O3 — CID 58940962

IUPAC4-[3-(methylamino)propyl]morpholine-3,5-dione
SMILESCNCCCN1C(=O)COCC1=O
InChIInChI=1S/C8H14N2O3/c1-9-3-2-4-10-7(11)5-13-6-8(10)12/h9H,2-6H2,1H3
InChIKeyQMKHVQQBIFPNLA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.02
Rot. Bonds4

About 4-[3-(methylamino)propyl]morpholine-3,5-dione

4-[3-(methylamino)propyl]morpholine-3,5-dione (PubChem CID 58940962) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]morpholine-3,5-dione
PubChem CID58940962
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-[3-(methylamino)propyl]morpholine-3,5-dione
SMILESCNCCCN1C(=O)COCC1=O
InChIInChI=1S/C8H14N2O3/c1-9-3-2-4-10-7(11)5-13-6-8(10)12/h9H,2-6H2,1H3
InChIKeyQMKHVQQBIFPNLA-UHFFFAOYSA-N
XLogP-1.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]morpholine-3,5-dione?
The IUPAC name of 4-[3-(methylamino)propyl]morpholine-3,5-dione (CID 58940962) is 4-[3-(methylamino)propyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[3-(methylamino)propyl]morpholine-3,5-dione?
The canonical SMILES for 4-[3-(methylamino)propyl]morpholine-3,5-dione is CNCCCN1C(=O)COCC1=O.
What is the InChIKey of 4-[3-(methylamino)propyl]morpholine-3,5-dione?
The InChIKey is QMKHVQQBIFPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9-3-2-4-10-7(11)5-13-6-8(10)12/h9H,2-6H2,1H3.
What are the key properties of 4-[3-(methylamino)propyl]morpholine-3,5-dione?
4-[3-(methylamino)propyl]morpholine-3,5-dione has a molecular weight of 186.21 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]morpholine-3,5-dione is sourced from PubChem (CID 58940962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).