ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate

C11H17NO3 — CID 121005906

IUPACethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate
SMILESC=CCC1(/C(=N\O)OCC)CCCC1=O
InChIInChI=1S/C11H17NO3/c1-3-7-11(8-5-6-9(11)13)10(12-14)15-4-2/h3,14H,1,4-8H2,2H3/b12-10+
InChIKeyIZYMEPVTFZCKRY-ZRDIBKRKSA-N
MW211.26 g/mol
LogP2.13
Rot. Bonds4

About ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate

ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate (PubChem CID 121005906) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate.

Molecular Properties

Compound Nameethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate
PubChem CID121005906
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate
SMILESC=CCC1(/C(=N\O)OCC)CCCC1=O
InChIInChI=1S/C11H17NO3/c1-3-7-11(8-5-6-9(11)13)10(12-14)15-4-2/h3,14H,1,4-8H2,2H3/b12-10+
InChIKeyIZYMEPVTFZCKRY-ZRDIBKRKSA-N
XLogP2.13
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 11074660
prop-2-enyl 2-oxo-1-prop-2-enylcyclohexane-1-carboxylate
CID 12619400
prop-2-enyl 2-oxo-1-pent-2-enylcyclopentane-1-carboxylate
CID 54103768
ethyl (3S)-2-oxo-3-prop-2-enylpiperidine-3-carboxylate
CID 138616102
ethyl 1-[(E)-4-(1-ethoxycarbonyl-2-oxocycloheptyl)but-2-enyl]-2-oxocycloheptane-1-carboxylate
CID 11154373
2-[(1S)-1-ethoxycarbonyl-2-oxocyclopentyl]acetic acid
CID 3246182
ethyl 2-oxo-1-(2-oxoethyl)cyclooctane-1-carboxylate
CID 11459101
ethyl 3-oxo-2-prop-2-enylthiane-2-carboxylate
CID 14200664
ethyl 2-oxo-1-[(E)-4-oxopent-2-enyl]cyclohexane-1-carboxylate
CID 101153657
ethyl 4-methyl-2-oxo-1-prop-2-enylcyclohex-3-ene-1-carboxylate
CID 138963660
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
ethyl 1-ethyl-2-oxocyclododecane-1-carboxylate
CID 12013534

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate?
The IUPAC name of ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate (CID 121005906) is ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate.
What is the SMILES notation for ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate?
The canonical SMILES for ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate is C=CCC1(/C(=N\O)OCC)CCCC1=O.
What is the InChIKey of ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate?
The InChIKey is IZYMEPVTFZCKRY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-7-11(8-5-6-9(11)13)10(12-14)15-4-2/h3,14H,1,4-8H2,2H3/b12-10+.
What are the key properties of ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate?
ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate has a molecular weight of 211.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-hydroxy-2-oxo-1-prop-2-enylcyclopentane-1-carboximidate is sourced from PubChem (CID 121005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).