N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride

C8H13ClN2O3 — CID 54356739

IUPACN-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride
SMILESCCN(C(=O)Cl)C(=O)N1CCOCC1
InChIInChI=1S/C8H13ClN2O3/c1-2-11(7(9)12)8(13)10-3-5-14-6-4-10/h2-6H2,1H3
InChIKeyUJPYERAFROZMJJ-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.12
Rot. Bonds1

About N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride

N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride (PubChem CID 54356739) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride
PubChem CID54356739
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC NameN-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride
SMILESCCN(C(=O)Cl)C(=O)N1CCOCC1
InChIInChI=1S/C8H13ClN2O3/c1-2-11(7(9)12)8(13)10-3-5-14-6-4-10/h2-6H2,1H3
InChIKeyUJPYERAFROZMJJ-UHFFFAOYSA-N
XLogP1.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride?
The IUPAC name of N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride (CID 54356739) is N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride.
What is the SMILES notation for N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride?
The canonical SMILES for N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride is CCN(C(=O)Cl)C(=O)N1CCOCC1.
What is the InChIKey of N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride?
The InChIKey is UJPYERAFROZMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O3/c1-2-11(7(9)12)8(13)10-3-5-14-6-4-10/h2-6H2,1H3.
What are the key properties of N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride?
N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride has a molecular weight of 220.66 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(morpholine-4-carbonyl)carbamoyl chloride is sourced from PubChem (CID 54356739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).