ethyl N-(3-chloropropoxy)ethanimidate

C7H14ClNO2 — CID 71339989

IUPACethyl N-(3-chloropropoxy)ethanimidate
SMILESCCOC(C)=NOCCCCl
InChIInChI=1S/C7H14ClNO2/c1-3-10-7(2)9-11-6-4-5-8/h3-6H2,1-2H3
InChIKeyOTJYKLJJARXTQZ-UHFFFAOYSA-N
MW179.65 g/mol
LogP2.00
Rot. Bonds5

About ethyl N-(3-chloropropoxy)ethanimidate

ethyl N-(3-chloropropoxy)ethanimidate (PubChem CID 71339989) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is ethyl N-(3-chloropropoxy)ethanimidate.

Molecular Properties

Compound Nameethyl N-(3-chloropropoxy)ethanimidate
PubChem CID71339989
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Nameethyl N-(3-chloropropoxy)ethanimidate
SMILESCCOC(C)=NOCCCCl
InChIInChI=1S/C7H14ClNO2/c1-3-10-7(2)9-11-6-4-5-8/h3-6H2,1-2H3
InChIKeyOTJYKLJJARXTQZ-UHFFFAOYSA-N
XLogP2.00
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
CID 118175045
ethyl N-(3-oxopropoxy)ethanimidate
CID 71374207
methyl 3-(1-ethoxyethylideneamino)oxypropanoate
CID 71331645
ethyl (1E)-ethanehydrazonate
CID 57432796
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
ethyl 4-chloro-2-(2-chloroethoxyimino)-3-oxobutanoate
CID 54169228
4-chlorobutyl ethyl carbonate
CID 103970561

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-chloropropoxy)ethanimidate?
The IUPAC name of ethyl N-(3-chloropropoxy)ethanimidate (CID 71339989) is ethyl N-(3-chloropropoxy)ethanimidate.
What is the SMILES notation for ethyl N-(3-chloropropoxy)ethanimidate?
The canonical SMILES for ethyl N-(3-chloropropoxy)ethanimidate is CCOC(C)=NOCCCCl.
What is the InChIKey of ethyl N-(3-chloropropoxy)ethanimidate?
The InChIKey is OTJYKLJJARXTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-3-10-7(2)9-11-6-4-5-8/h3-6H2,1-2H3.
What are the key properties of ethyl N-(3-chloropropoxy)ethanimidate?
ethyl N-(3-chloropropoxy)ethanimidate has a molecular weight of 179.65 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-chloropropoxy)ethanimidate is sourced from PubChem (CID 71339989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).