(1-chloropropylideneamino) dimethyl phosphate

C5H11ClNO4P — CID 71335705

IUPAC(1-chloropropylideneamino) dimethyl phosphate
SMILESCCC(Cl)=NOP(=O)(OC)OC
InChIInChI=1S/C5H11ClNO4P/c1-4-5(6)7-11-12(8,9-2)10-3/h4H2,1-3H3
InChIKeySPMKCWXDCCPCPF-UHFFFAOYSA-N
MW215.57 g/mol
LogP2.37
Rot. Bonds5

About (1-chloropropylideneamino) dimethyl phosphate

(1-chloropropylideneamino) dimethyl phosphate (PubChem CID 71335705) has the molecular formula C5H11ClNO4P and a molecular weight of 215.57 g/mol. Its IUPAC name is (1-chloropropylideneamino) dimethyl phosphate.

Molecular Properties

Compound Name(1-chloropropylideneamino) dimethyl phosphate
PubChem CID71335705
Molecular FormulaC5H11ClNO4P
Molecular Weight215.57 g/mol
Exact Mass215.01
IUPAC Name(1-chloropropylideneamino) dimethyl phosphate
SMILESCCC(Cl)=NOP(=O)(OC)OC
InChIInChI=1S/C5H11ClNO4P/c1-4-5(6)7-11-12(8,9-2)10-3/h4H2,1-3H3
InChIKeySPMKCWXDCCPCPF-UHFFFAOYSA-N
XLogP2.37
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.57
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(dimethoxyphosphoryloxy)ethanimidoylchloride
CID 86163354
[(E)-1-chloroethylideneamino] dimethyl phosphate
CID 10081548
[(E)-1-chlorobutylideneamino] diethyl phosphate
CID 10422609
(1Z)-2-diethoxyphosphoryl-N-hydroxypropanimidoyl chloride
CID 177618792

Frequently Asked Questions

What is the IUPAC name of (1-chloropropylideneamino) dimethyl phosphate?
The IUPAC name of (1-chloropropylideneamino) dimethyl phosphate (CID 71335705) is (1-chloropropylideneamino) dimethyl phosphate.
What is the SMILES notation for (1-chloropropylideneamino) dimethyl phosphate?
The canonical SMILES for (1-chloropropylideneamino) dimethyl phosphate is CCC(Cl)=NOP(=O)(OC)OC.
What is the InChIKey of (1-chloropropylideneamino) dimethyl phosphate?
The InChIKey is SPMKCWXDCCPCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClNO4P/c1-4-5(6)7-11-12(8,9-2)10-3/h4H2,1-3H3.
What are the key properties of (1-chloropropylideneamino) dimethyl phosphate?
(1-chloropropylideneamino) dimethyl phosphate has a molecular weight of 215.57 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloropropylideneamino) dimethyl phosphate is sourced from PubChem (CID 71335705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).