[(2-formylbenzoyl)-methylamino] formate;oxane

C15H19NO5 — CID 178114254

IUPAC[(2-formylbenzoyl)-methylamino] formate;oxane
SMILESC1CCOCC1.CN(OC=O)C(=O)c1ccccc1C=O
InChIInChI=1S/C10H9NO4.C5H10O/c1-11(15-7-13)10(14)9-5-3-2-4-8(9)6-12;1-2-4-6-5-3-1/h2-7H,1H3;1-5H2
InChIKeyVZZJBRUDXLHYNQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.85
Rot. Bonds4

About [(2-formylbenzoyl)-methylamino] formate;oxane

[(2-formylbenzoyl)-methylamino] formate;oxane (PubChem CID 178114254) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(2-formylbenzoyl)-methylamino] formate;oxane.

Molecular Properties

Compound Name[(2-formylbenzoyl)-methylamino] formate;oxane
PubChem CID178114254
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[(2-formylbenzoyl)-methylamino] formate;oxane
SMILESC1CCOCC1.CN(OC=O)C(=O)c1ccccc1C=O
InChIInChI=1S/C10H9NO4.C5H10O/c1-11(15-7-13)10(14)9-5-3-2-4-8(9)6-12;1-2-4-6-5-3-1/h2-7H,1H3;1-5H2
InChIKeyVZZJBRUDXLHYNQ-UHFFFAOYSA-N
XLogP1.85
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-formylbenzoyl)-methylamino] formate;oxane?
The IUPAC name of [(2-formylbenzoyl)-methylamino] formate;oxane (CID 178114254) is [(2-formylbenzoyl)-methylamino] formate;oxane.
What is the SMILES notation for [(2-formylbenzoyl)-methylamino] formate;oxane?
The canonical SMILES for [(2-formylbenzoyl)-methylamino] formate;oxane is C1CCOCC1.CN(OC=O)C(=O)c1ccccc1C=O.
What is the InChIKey of [(2-formylbenzoyl)-methylamino] formate;oxane?
The InChIKey is VZZJBRUDXLHYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4.C5H10O/c1-11(15-7-13)10(14)9-5-3-2-4-8(9)6-12;1-2-4-6-5-3-1/h2-7H,1H3;1-5H2.
What are the key properties of [(2-formylbenzoyl)-methylamino] formate;oxane?
[(2-formylbenzoyl)-methylamino] formate;oxane has a molecular weight of 293.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-formylbenzoyl)-methylamino] formate;oxane is sourced from PubChem (CID 178114254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).