ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate

C11H17NO3 — CID 53254304

IUPACethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate
SMILESC=CCO/N=C(\CC(=O)OCC)C1CC1
InChIInChI=1S/C11H17NO3/c1-3-7-15-12-10(9-5-6-9)8-11(13)14-4-2/h3,9H,1,4-8H2,2H3/b12-10+
InChIKeyXVDSOYYARIRCMW-ZRDIBKRKSA-N
MW211.26 g/mol
LogP1.91
Rot. Bonds7

About ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate

ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate (PubChem CID 53254304) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate.

Molecular Properties

Compound Nameethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate
PubChem CID53254304
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate
SMILESC=CCO/N=C(\CC(=O)OCC)C1CC1
InChIInChI=1S/C11H17NO3/c1-3-7-15-12-10(9-5-6-9)8-11(13)14-4-2/h3,9H,1,4-8H2,2H3/b12-10+
InChIKeyXVDSOYYARIRCMW-ZRDIBKRKSA-N
XLogP1.91
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 3-bromo-2-prop-2-enoxyiminopropanoate
CID 118021342
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CID 143366239
N-prop-2-enoxypentan-3-imine
CID 174974673
ethyl pent-4-enoate;dihydrochloride
CID 175912482
3-O-(3-ethoxy-3-oxopropanoyl) 1-O-ethyl propanedioate
CID 15707103
ethyl 2-(4-prop-2-enylcyclohexyl)acetate
CID 89472943
diethyl propanedioate;ethane
CID 123991095
diethyl propanedioate;titanium
CID 174779178
alumane;ethyl propanoate
CID 174257559
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 3-oxodec-9-enoate
CID 10036105

Frequently Asked Questions

What is the IUPAC name of ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate?
The IUPAC name of ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate (CID 53254304) is ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate.
What is the SMILES notation for ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate?
The canonical SMILES for ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate is C=CCO/N=C(\CC(=O)OCC)C1CC1.
What is the InChIKey of ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate?
The InChIKey is XVDSOYYARIRCMW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-7-15-12-10(9-5-6-9)8-11(13)14-4-2/h3,9H,1,4-8H2,2H3/b12-10+.
What are the key properties of ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate?
ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate has a molecular weight of 211.26 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3E)-3-cyclopropyl-3-prop-2-enoxyiminopropanoate is sourced from PubChem (CID 53254304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).