2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate

C7H12ClNO4 — CID 11608172

IUPAC2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate
SMILESCCOC(=O)OCCN(C)C(=O)Cl
InChIInChI=1S/C7H12ClNO4/c1-3-12-7(11)13-5-4-9(2)6(8)10/h3-5H2,1-2H3
InChIKeyYPZUOQOTBSMJNT-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.45
Rot. Bonds4

About 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate

2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate (PubChem CID 11608172) has the molecular formula C7H12ClNO4 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate.

Molecular Properties

Compound Name2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate
PubChem CID11608172
Molecular FormulaC7H12ClNO4
Molecular Weight209.63 g/mol
Exact Mass209.05
IUPAC Name2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate
SMILESCCOC(=O)OCCN(C)C(=O)Cl
InChIInChI=1S/C7H12ClNO4/c1-3-12-7(11)13-5-4-9(2)6(8)10/h3-5H2,1-2H3
InChIKeyYPZUOQOTBSMJNT-UHFFFAOYSA-N
XLogP1.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate?
The IUPAC name of 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate (CID 11608172) is 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate.
What is the SMILES notation for 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate?
The canonical SMILES for 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate is CCOC(=O)OCCN(C)C(=O)Cl.
What is the InChIKey of 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate?
The InChIKey is YPZUOQOTBSMJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO4/c1-3-12-7(11)13-5-4-9(2)6(8)10/h3-5H2,1-2H3.
What are the key properties of 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate?
2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate has a molecular weight of 209.63 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbonochloridoyl(methyl)amino]ethyl ethyl carbonate is sourced from PubChem (CID 11608172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).