N-[cyano(diethoxyphosphoryl)methyl]formamide

C7H13N2O4P — CID 15470141

IUPACN-[cyano(diethoxyphosphoryl)methyl]formamide
SMILESCCOP(=O)(OCC)C(C#N)NC=O
InChIInChI=1S/C7H13N2O4P/c1-3-12-14(11,13-4-2)7(5-8)9-6-10/h6-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyWVXYFYVGHLIPQP-UHFFFAOYSA-N
MW220.16 g/mol
LogP0.85
Rot. Bonds7

About N-[cyano(diethoxyphosphoryl)methyl]formamide

N-[cyano(diethoxyphosphoryl)methyl]formamide (PubChem CID 15470141) has the molecular formula C7H13N2O4P and a molecular weight of 220.16 g/mol. Its IUPAC name is N-[cyano(diethoxyphosphoryl)methyl]formamide.

Molecular Properties

Compound NameN-[cyano(diethoxyphosphoryl)methyl]formamide
PubChem CID15470141
Molecular FormulaC7H13N2O4P
Molecular Weight220.16 g/mol
Exact Mass220.06
IUPAC NameN-[cyano(diethoxyphosphoryl)methyl]formamide
SMILESCCOP(=O)(OCC)C(C#N)NC=O
InChIInChI=1S/C7H13N2O4P/c1-3-12-14(11,13-4-2)7(5-8)9-6-10/h6-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyWVXYFYVGHLIPQP-UHFFFAOYSA-N
XLogP0.85
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[cyano(diethoxyphosphoryl)methyl]phosphonic acid
CID 87504959
2-diethoxyphosphorylbutanenitrile
CID 13179404
2-diethoxyphosphoryl-3-methylbutanenitrile
CID 11031342
2-diethoxyphosphoryl-2-(dimethylamino)acetonitrile
CID 12845692
3,3-bis(diethoxyphosphoryl)propanenitrile
CID 15162590
N-(1-cyanopropyl)formamide
CID 19979685
2-cyclopropyl-2-diethoxyphosphorylacetonitrile
CID 90197337
3-diethoxyphosphorylpentanenitrile
CID 54443220
3-diethoxyphosphorylbut-1-ene
CID 13357671
3-diethoxyphosphoryl-4-oxobutanoic acid
CID 175777470
N-[1-(azanylidyne(113C)methyl)ethyl]formamide
CID 11007825
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305

Frequently Asked Questions

What is the IUPAC name of N-[cyano(diethoxyphosphoryl)methyl]formamide?
The IUPAC name of N-[cyano(diethoxyphosphoryl)methyl]formamide (CID 15470141) is N-[cyano(diethoxyphosphoryl)methyl]formamide.
What is the SMILES notation for N-[cyano(diethoxyphosphoryl)methyl]formamide?
The canonical SMILES for N-[cyano(diethoxyphosphoryl)methyl]formamide is CCOP(=O)(OCC)C(C#N)NC=O.
What is the InChIKey of N-[cyano(diethoxyphosphoryl)methyl]formamide?
The InChIKey is WVXYFYVGHLIPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O4P/c1-3-12-14(11,13-4-2)7(5-8)9-6-10/h6-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-[cyano(diethoxyphosphoryl)methyl]formamide?
N-[cyano(diethoxyphosphoryl)methyl]formamide has a molecular weight of 220.16 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(diethoxyphosphoryl)methyl]formamide is sourced from PubChem (CID 15470141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).