2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide

C10H13N3O4 — CID 79469519

IUPAC2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCOCC1=O
InChIInChI=1S/C10H13N3O4/c11-12-10(15)7-1-3-17-8(7)5-13-2-4-16-6-9(13)14/h1,3H,2,4-6,11H2,(H,12,15)
InChIKeyVITLDEVMZDWAKO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.76
Rot. Bonds3

About 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide

2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide (PubChem CID 79469519) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide
PubChem CID79469519
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CN1CCOCC1=O
InChIInChI=1S/C10H13N3O4/c11-12-10(15)7-1-3-17-8(7)5-13-2-4-16-6-9(13)14/h1,3H,2,4-6,11H2,(H,12,15)
InChIKeyVITLDEVMZDWAKO-UHFFFAOYSA-N
XLogP-0.76
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide (CID 79469519) is 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1CN1CCOCC1=O.
What is the InChIKey of 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide?
The InChIKey is VITLDEVMZDWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-12-10(15)7-1-3-17-8(7)5-13-2-4-16-6-9(13)14/h1,3H,2,4-6,11H2,(H,12,15).
What are the key properties of 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide?
2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide has a molecular weight of 239.23 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 79469519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).