N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride

C3H6ClNO3 — CID 175311484

IUPACN-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride
SMILESO=C(Cl)N(O)CCO
InChIInChI=1S/C3H6ClNO3/c4-3(7)5(8)1-2-6/h6,8H,1-2H2
InChIKeyNZZKPDJHNSUZBS-UHFFFAOYSA-N
MW139.54 g/mol
LogP0.03
Rot. Bonds2

About N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride

N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride (PubChem CID 175311484) has the molecular formula C3H6ClNO3 and a molecular weight of 139.54 g/mol. Its IUPAC name is N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride.

Molecular Properties

Compound NameN-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride
PubChem CID175311484
Molecular FormulaC3H6ClNO3
Molecular Weight139.54 g/mol
Exact Mass139.00
IUPAC NameN-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride
SMILESO=C(Cl)N(O)CCO
InChIInChI=1S/C3H6ClNO3/c4-3(7)5(8)1-2-6/h6,8H,1-2H2
InChIKeyNZZKPDJHNSUZBS-UHFFFAOYSA-N
XLogP0.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.54
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
2-[ethyl(2-hydroxyethyl)amino]-2-methylpropanoyl chloride
CID 39254590
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
butane-1,4-diol;bis(carbonochloridic acid)
CID 53446623
2-aminoethanol;carbonyl dichloride
CID 174939144
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
1-hydroxy-2-[2-hydroxyethyl(sulfinato)amino]ethane
CID 21327705
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989
azane;2,2-dichloroacetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175077648
4-chloro-N,N-bis(2-hydroxyethyl)butanamide
CID 63307970

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride?
The IUPAC name of N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride (CID 175311484) is N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride.
What is the SMILES notation for N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride?
The canonical SMILES for N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride is O=C(Cl)N(O)CCO.
What is the InChIKey of N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride?
The InChIKey is NZZKPDJHNSUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO3/c4-3(7)5(8)1-2-6/h6,8H,1-2H2.
What are the key properties of N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride?
N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride has a molecular weight of 139.54 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(2-hydroxyethyl)carbamoyl chloride is sourced from PubChem (CID 175311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).