ethyl N-(3-oxopropoxy)ethanimidate

C7H13NO3 — CID 71374207

IUPACethyl N-(3-oxopropoxy)ethanimidate
SMILESCCOC(C)=NOCCC=O
InChIInChI=1S/C7H13NO3/c1-3-10-7(2)8-11-6-4-5-9/h5H,3-4,6H2,1-2H3
InChIKeyVYYGPIMMEBMHSY-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.96
Rot. Bonds5

About ethyl N-(3-oxopropoxy)ethanimidate

ethyl N-(3-oxopropoxy)ethanimidate (PubChem CID 71374207) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl N-(3-oxopropoxy)ethanimidate.

Molecular Properties

Compound Nameethyl N-(3-oxopropoxy)ethanimidate
PubChem CID71374207
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameethyl N-(3-oxopropoxy)ethanimidate
SMILESCCOC(C)=NOCCC=O
InChIInChI=1S/C7H13NO3/c1-3-10-7(2)8-11-6-4-5-9/h5H,3-4,6H2,1-2H3
InChIKeyVYYGPIMMEBMHSY-UHFFFAOYSA-N
XLogP0.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

3-(propan-2-ylideneamino)oxypropanal
CID 145076965
ethyl N-(3-chloropropoxy)ethanimidate
CID 71339989
ethyl (1E)-N-(3-bromopropoxy)ethanimidate
CID 18008115
methyl 3-(1-ethoxyethylideneamino)oxypropanoate
CID 71331645
ethyl N-(4-bromobutoxy)ethanimidate
CID 54060616
ethyl N-(10-hydroxydecoxy)ethanimidate
CID 71419610
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
CID 118175045
ethyl (1E)-ethanehydrazonate
CID 57432796
6-[(E)-butan-2-ylideneamino]oxyhexanal;ethane
CID 144871456
ethyl N-dihydroxyphosphinothioyloxyethanimidate
CID 88700961
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-oxopropoxy)ethanimidate?
The IUPAC name of ethyl N-(3-oxopropoxy)ethanimidate (CID 71374207) is ethyl N-(3-oxopropoxy)ethanimidate.
What is the SMILES notation for ethyl N-(3-oxopropoxy)ethanimidate?
The canonical SMILES for ethyl N-(3-oxopropoxy)ethanimidate is CCOC(C)=NOCCC=O.
What is the InChIKey of ethyl N-(3-oxopropoxy)ethanimidate?
The InChIKey is VYYGPIMMEBMHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-10-7(2)8-11-6-4-5-9/h5H,3-4,6H2,1-2H3.
What are the key properties of ethyl N-(3-oxopropoxy)ethanimidate?
ethyl N-(3-oxopropoxy)ethanimidate has a molecular weight of 159.19 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-oxopropoxy)ethanimidate is sourced from PubChem (CID 71374207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).