ethyl 3-cyclopropyliminopropanoate

C8H13NO2 — CID 54072714

IUPACethyl 3-cyclopropyliminopropanoate
SMILESCCOC(=O)C/C=N/C1CC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h6-7H,2-5H2,1H3/b9-6+
InChIKeyMHPFVHBTQVEVLQ-RMKNXTFCSA-N
MW155.20 g/mol
LogP1.17
Rot. Bonds4

About ethyl 3-cyclopropyliminopropanoate

ethyl 3-cyclopropyliminopropanoate (PubChem CID 54072714) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl 3-cyclopropyliminopropanoate.

Molecular Properties

Compound Nameethyl 3-cyclopropyliminopropanoate
PubChem CID54072714
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl 3-cyclopropyliminopropanoate
SMILESCCOC(=O)C/C=N/C1CC1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h6-7H,2-5H2,1H3/b9-6+
InChIKeyMHPFVHBTQVEVLQ-RMKNXTFCSA-N
XLogP1.17
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-ethyliminopropanoate
CID 7838994
Ethyl 3-methyliminopropanoate
CID 18322596
ethyl 3-[(2S)-1-acetyloxypropan-2-yl]iminopropanoate
CID 54160225
Ethyl 3-(1-acetyloxypropan-2-ylimino)propanoate
CID 54160226
Ethyl 3-butyliminopropanoate
CID 54181998
Methyl 3-cyclopropyliminopropanoate
CID 54218394
Ethyl 3-ethylimino-2-methylpropanoate
CID 57236198
Propan-2-yl 3-propan-2-yliminopropanoate
CID 90687682
Ethyl 3-cyclopropyliminobutanoate
CID 90894658
3-Ethyliminopropyl propanoate
CID 175881017
3-Propyliminopropyl propanoate
CID 175881019
3-Propyliminopropyl acetate
CID 175881021

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclopropyliminopropanoate?
The IUPAC name of ethyl 3-cyclopropyliminopropanoate (CID 54072714) is ethyl 3-cyclopropyliminopropanoate.
What is the SMILES notation for ethyl 3-cyclopropyliminopropanoate?
The canonical SMILES for ethyl 3-cyclopropyliminopropanoate is CCOC(=O)C/C=N/C1CC1.
What is the InChIKey of ethyl 3-cyclopropyliminopropanoate?
The InChIKey is MHPFVHBTQVEVLQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h6-7H,2-5H2,1H3/b9-6+.
What are the key properties of ethyl 3-cyclopropyliminopropanoate?
ethyl 3-cyclopropyliminopropanoate has a molecular weight of 155.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopropyliminopropanoate is sourced from PubChem (CID 54072714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).