N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide

C9H17NO7P2 — CID 170085376

IUPACN-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
SMILESC=CCOP(=O)(NC(=O)P(=O)(OC)OC)OCC=C
InChIInChI=1S/C9H17NO7P2/c1-5-7-16-19(13,17-8-6-2)10-9(11)18(12,14-3)15-4/h5-6H,1-2,7-8H2,3-4H3,(H,10,11,13)
InChIKeyZDYGRYZLKFAVQK-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.70
Rot. Bonds10

About N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide

N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide (PubChem CID 170085376) has the molecular formula C9H17NO7P2 and a molecular weight of 313.18 g/mol. Its IUPAC name is N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide.

Molecular Properties

Compound NameN-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
PubChem CID170085376
Molecular FormulaC9H17NO7P2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC NameN-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide
SMILESC=CCOP(=O)(NC(=O)P(=O)(OC)OC)OCC=C
InChIInChI=1S/C9H17NO7P2/c1-5-7-16-19(13,17-8-6-2)10-9(11)18(12,14-3)15-4/h5-6H,1-2,7-8H2,3-4H3,(H,10,11,13)
InChIKeyZDYGRYZLKFAVQK-UHFFFAOYSA-N
XLogP2.70
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methoxycarbonyl(prop-2-enoxy)phosphinic acid
CID 130449055
1-dimethoxyphosphorylbut-3-en-1-one
CID 87462623
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
1-bis(prop-2-ynoxy)phosphoryl-N-dimethoxyphosphorylformamide
CID 170085387
1-bis(prop-2-enoxy)phosphorylprop-2-en-1-one
CID 141060498
methyl N-dimethoxyphosphorylcarbonylcarbamate
CID 57190698
2-bis(prop-2-enoxy)phosphorylprop-2-enoic acid
CID 19024375
sodium N-[oxido(prop-2-enoxy)phosphinothioyl]acetamide
CID 23701941
zinc prop-2-enyl phosphate
CID 87515855
methane;prop-2-enyl dihydrogen phosphate
CID 87755414
carbonochloridic acid;prop-2-enyl dihydrogen phosphate
CID 174647685
2-dimethoxyphosphoryl-3-methoxybuta-1,3-diene
CID 12591876

Frequently Asked Questions

What is the IUPAC name of N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide?
The IUPAC name of N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide (CID 170085376) is N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide.
What is the SMILES notation for N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide?
The canonical SMILES for N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide is C=CCOP(=O)(NC(=O)P(=O)(OC)OC)OCC=C.
What is the InChIKey of N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide?
The InChIKey is ZDYGRYZLKFAVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO7P2/c1-5-7-16-19(13,17-8-6-2)10-9(11)18(12,14-3)15-4/h5-6H,1-2,7-8H2,3-4H3,(H,10,11,13).
What are the key properties of N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide?
N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide has a molecular weight of 313.18 g/mol, XLogP of 2.70, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(prop-2-enoxy)phosphoryl-1-dimethoxyphosphorylformamide is sourced from PubChem (CID 170085376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).