N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide

C10H17ClNO4P — CID 101350618

IUPACN-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide
SMILESC=CC(=O)NC(C(=C)Cl)P(=O)(OCC)OCC
InChIInChI=1S/C10H17ClNO4P/c1-5-9(13)12-10(8(4)11)17(14,15-6-2)16-7-3/h5,10H,1,4,6-7H2,2-3H3,(H,12,13)
InChIKeyPHMKPSFUXKRFHW-UHFFFAOYSA-N
MW281.68 g/mol
LogP2.63
Rot. Bonds8

About N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide

N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide (PubChem CID 101350618) has the molecular formula C10H17ClNO4P and a molecular weight of 281.68 g/mol. Its IUPAC name is N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide
PubChem CID101350618
Molecular FormulaC10H17ClNO4P
Molecular Weight281.68 g/mol
Exact Mass281.06
IUPAC NameN-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide
SMILESC=CC(=O)NC(C(=C)Cl)P(=O)(OCC)OCC
InChIInChI=1S/C10H17ClNO4P/c1-5-9(13)12-10(8(4)11)17(14,15-6-2)16-7-3/h5,10H,1,4,6-7H2,2-3H3,(H,12,13)
InChIKeyPHMKPSFUXKRFHW-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide?
The IUPAC name of N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide (CID 101350618) is N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide.
What is the SMILES notation for N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide?
The canonical SMILES for N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide is C=CC(=O)NC(C(=C)Cl)P(=O)(OCC)OCC.
What is the InChIKey of N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide?
The InChIKey is PHMKPSFUXKRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClNO4P/c1-5-9(13)12-10(8(4)11)17(14,15-6-2)16-7-3/h5,10H,1,4,6-7H2,2-3H3,(H,12,13).
What are the key properties of N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide?
N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide has a molecular weight of 281.68 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-diethoxyphosphorylprop-2-enyl)prop-2-enamide is sourced from PubChem (CID 101350618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).