N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide

C6H12NO4P — CID 71372379

IUPACN-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
SMILESCC1(C)COP(=O)(NC=O)OC1
InChIInChI=1S/C6H12NO4P/c1-6(2)3-10-12(9,7-5-8)11-4-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyBZDDAKLNXWJODH-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.91
Rot. Bonds2

About N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide

N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide (PubChem CID 71372379) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
PubChem CID71372379
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC NameN-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
SMILESCC1(C)COP(=O)(NC=O)OC1
InChIInChI=1S/C6H12NO4P/c1-6(2)3-10-12(9,7-5-8)11-4-6/h5H,3-4H2,1-2H3,(H,7,8,9)
InChIKeyBZDDAKLNXWJODH-UHFFFAOYSA-N
XLogP0.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide?
The IUPAC name of N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide (CID 71372379) is N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide.
What is the SMILES notation for N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide?
The canonical SMILES for N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide is CC1(C)COP(=O)(NC=O)OC1.
What is the InChIKey of N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide?
The InChIKey is BZDDAKLNXWJODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-6(2)3-10-12(9,7-5-8)11-4-6/h5H,3-4H2,1-2H3,(H,7,8,9).
What are the key properties of N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide?
N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide has a molecular weight of 193.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide is sourced from PubChem (CID 71372379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).