dimorpholin-4-ylmethanone;formic acid

C10H18N2O5 — CID 159867764

IUPACdimorpholin-4-ylmethanone;formic acid
SMILESO=C(N1CCOCC1)N1CCOCC1.O=CO
InChIInChI=1S/C9H16N2O3.CH2O2/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11;2-1-3/h1-8H2;1H,(H,2,3)
InChIKeyNRYHHCKGBNGFHP-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.53
Rot. Bonds

About dimorpholin-4-ylmethanone;formic acid

dimorpholin-4-ylmethanone;formic acid (PubChem CID 159867764) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is dimorpholin-4-ylmethanone;formic acid.

Molecular Properties

Compound Namedimorpholin-4-ylmethanone;formic acid
PubChem CID159867764
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Namedimorpholin-4-ylmethanone;formic acid
SMILESO=C(N1CCOCC1)N1CCOCC1.O=CO
InChIInChI=1S/C9H16N2O3.CH2O2/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11;2-1-3/h1-8H2;1H,(H,2,3)
InChIKeyNRYHHCKGBNGFHP-UHFFFAOYSA-N
XLogP-0.53
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimorpholin-4-ylmethanone;formic acid?
The IUPAC name of dimorpholin-4-ylmethanone;formic acid (CID 159867764) is dimorpholin-4-ylmethanone;formic acid.
What is the SMILES notation for dimorpholin-4-ylmethanone;formic acid?
The canonical SMILES for dimorpholin-4-ylmethanone;formic acid is O=C(N1CCOCC1)N1CCOCC1.O=CO.
What is the InChIKey of dimorpholin-4-ylmethanone;formic acid?
The InChIKey is NRYHHCKGBNGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.CH2O2/c12-9(10-1-5-13-6-2-10)11-3-7-14-8-4-11;2-1-3/h1-8H2;1H,(H,2,3).
What are the key properties of dimorpholin-4-ylmethanone;formic acid?
dimorpholin-4-ylmethanone;formic acid has a molecular weight of 246.26 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimorpholin-4-ylmethanone;formic acid is sourced from PubChem (CID 159867764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).