2-ethoxyethanimidoyl chloride

C4H8ClNO — CID 175467520

IUPAC2-ethoxyethanimidoyl chloride
SMILES[H]/N=C(\Cl)COCC
InChIInChI=1S/C4H8ClNO/c1-2-7-3-4(5)6/h6H,2-3H2,1H3/b6-4-
InChIKeyXBAZFZUAYIWXGU-XQRVVYSFSA-N
MW121.57 g/mol
LogP1.24
Rot. Bonds3

About 2-ethoxyethanimidoyl chloride

2-ethoxyethanimidoyl chloride (PubChem CID 175467520) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is 2-ethoxyethanimidoyl chloride.

Molecular Properties

Compound Name2-ethoxyethanimidoyl chloride
PubChem CID175467520
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC Name2-ethoxyethanimidoyl chloride
SMILES[H]/N=C(\Cl)COCC
InChIInChI=1S/C4H8ClNO/c1-2-7-3-4(5)6/h6H,2-3H2,1H3/b6-4-
InChIKeyXBAZFZUAYIWXGU-XQRVVYSFSA-N
XLogP1.24
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chlorooxyethanimidate
CID 87297173
2-(2-ethoxyethoxy)ethanimidamide
CID 24707447
dichloromethane;2-ethoxyacetic acid
CID 87359195
2-ethoxyacetic acid
CID 159744705
ethoxyethane;guanidine
CID 87089241
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
2-(1-ethoxypropan-2-yloxy)ethanimidamide
CID 103488671
carbonic acid;2-ethoxyacetic acid
CID 174869478
ethoxyethane;hydroxylamine
CID 135816400
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
1-ethoxy-3-(methylamino)propan-2-one
CID 116553693

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanimidoyl chloride?
The IUPAC name of 2-ethoxyethanimidoyl chloride (CID 175467520) is 2-ethoxyethanimidoyl chloride.
What is the SMILES notation for 2-ethoxyethanimidoyl chloride?
The canonical SMILES for 2-ethoxyethanimidoyl chloride is [H]/N=C(\Cl)COCC.
What is the InChIKey of 2-ethoxyethanimidoyl chloride?
The InChIKey is XBAZFZUAYIWXGU-XQRVVYSFSA-N. The full InChI is InChI=1S/C4H8ClNO/c1-2-7-3-4(5)6/h6H,2-3H2,1H3/b6-4-.
What are the key properties of 2-ethoxyethanimidoyl chloride?
2-ethoxyethanimidoyl chloride has a molecular weight of 121.57 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanimidoyl chloride is sourced from PubChem (CID 175467520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).