ethyl 2-chloro-2-cyclopropyliminoacetate

C7H10ClNO2 — CID 71757834

IUPACethyl 2-chloro-2-cyclopropyliminoacetate
SMILESCCOC(=O)/C(Cl)=N/C1CC1
InChIInChI=1S/C7H10ClNO2/c1-2-11-7(10)6(8)9-5-3-4-5/h5H,2-4H2,1H3/b9-6-
InChIKeyMFEHZTBKRQVZLX-TWGQIWQCSA-N
MW175.61 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-chloro-2-cyclopropyliminoacetate

ethyl 2-chloro-2-cyclopropyliminoacetate (PubChem CID 71757834) has the molecular formula C7H10ClNO2 and a molecular weight of 175.61 g/mol. Its IUPAC name is ethyl 2-chloro-2-cyclopropyliminoacetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-cyclopropyliminoacetate
PubChem CID71757834
Molecular FormulaC7H10ClNO2
Molecular Weight175.61 g/mol
Exact Mass175.04
IUPAC Nameethyl 2-chloro-2-cyclopropyliminoacetate
SMILESCCOC(=O)/C(Cl)=N/C1CC1
InChIInChI=1S/C7H10ClNO2/c1-2-11-7(10)6(8)9-5-3-4-5/h5H,2-4H2,1H3/b9-6-
InChIKeyMFEHZTBKRQVZLX-TWGQIWQCSA-N
XLogP1.35
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.61
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-cyclopropyliminoacetate?
The IUPAC name of ethyl 2-chloro-2-cyclopropyliminoacetate (CID 71757834) is ethyl 2-chloro-2-cyclopropyliminoacetate.
What is the SMILES notation for ethyl 2-chloro-2-cyclopropyliminoacetate?
The canonical SMILES for ethyl 2-chloro-2-cyclopropyliminoacetate is CCOC(=O)/C(Cl)=N/C1CC1.
What is the InChIKey of ethyl 2-chloro-2-cyclopropyliminoacetate?
The InChIKey is MFEHZTBKRQVZLX-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H10ClNO2/c1-2-11-7(10)6(8)9-5-3-4-5/h5H,2-4H2,1H3/b9-6-.
What are the key properties of ethyl 2-chloro-2-cyclopropyliminoacetate?
ethyl 2-chloro-2-cyclopropyliminoacetate has a molecular weight of 175.61 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-cyclopropyliminoacetate is sourced from PubChem (CID 71757834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).