(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride

C10H21ClNO3P — CID 10423224

IUPAC(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride
SMILESCCCCOP(C)(=O)O/N=C(/Cl)CCCC
InChIInChI=1S/C10H21ClNO3P/c1-4-6-8-10(11)12-15-16(3,13)14-9-7-5-2/h4-9H2,1-3H3/b12-10+
InChIKeyJRIHQDLFKHNLME-ZRDIBKRKSA-N
MW269.71 g/mol
LogP4.39
Rot. Bonds9

About (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride

(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride (PubChem CID 10423224) has the molecular formula C10H21ClNO3P and a molecular weight of 269.71 g/mol. Its IUPAC name is (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride.

Molecular Properties

Compound Name(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride
PubChem CID10423224
Molecular FormulaC10H21ClNO3P
Molecular Weight269.71 g/mol
Exact Mass269.09
IUPAC Name(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride
SMILESCCCCOP(C)(=O)O/N=C(/Cl)CCCC
InChIInChI=1S/C10H21ClNO3P/c1-4-6-8-10(11)12-15-16(3,13)14-9-7-5-2/h4-9H2,1-3H3/b12-10+
InChIKeyJRIHQDLFKHNLME-ZRDIBKRKSA-N
XLogP4.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

(1-Chloroethylideneamino) dipentyl phosphate
CID 71335704
dibutyl [(Z)-1-chloroethylideneamino] phosphate
CID 134994909
[(E)-1-chlorobutylideneamino] diethyl phosphate
CID 10422609
Dibutyl (1-chloroethylideneamino) phosphate
CID 71335712

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride?
The IUPAC name of (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride (CID 10423224) is (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride.
What is the SMILES notation for (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride?
The canonical SMILES for (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride is CCCCOP(C)(=O)O/N=C(/Cl)CCCC.
What is the InChIKey of (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride?
The InChIKey is JRIHQDLFKHNLME-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H21ClNO3P/c1-4-6-8-10(11)12-15-16(3,13)14-9-7-5-2/h4-9H2,1-3H3/b12-10+.
What are the key properties of (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride?
(1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride has a molecular weight of 269.71 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[butoxy(methyl)phosphoryl]oxypentanimidoyl chloride is sourced from PubChem (CID 10423224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).