ethyl cyclopropanecarboximidate

C6H11NO — CID 14518434

IUPACethyl cyclopropanecarboximidate
SMILES[H]/N=C(\OCC)C1CC1
InChIInChI=1S/C6H11NO/c1-2-8-6(7)5-3-4-5/h5,7H,2-4H2,1H3/b7-6-
InChIKeyHIZBBMJRKKKMKY-SREVYHEPSA-N
MW113.16 g/mol
LogP1.41
Rot. Bonds2

About ethyl cyclopropanecarboximidate

ethyl cyclopropanecarboximidate (PubChem CID 14518434) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is ethyl cyclopropanecarboximidate.

Molecular Properties

Compound Nameethyl cyclopropanecarboximidate
PubChem CID14518434
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Nameethyl cyclopropanecarboximidate
SMILES[H]/N=C(\OCC)C1CC1
InChIInChI=1S/C6H11NO/c1-2-8-6(7)5-3-4-5/h5,7H,2-4H2,1H3/b7-6-
InChIKeyHIZBBMJRKKKMKY-SREVYHEPSA-N
XLogP1.41
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl cyclopropanecarboximidate?
The IUPAC name of ethyl cyclopropanecarboximidate (CID 14518434) is ethyl cyclopropanecarboximidate.
What is the SMILES notation for ethyl cyclopropanecarboximidate?
The canonical SMILES for ethyl cyclopropanecarboximidate is [H]/N=C(\OCC)C1CC1.
What is the InChIKey of ethyl cyclopropanecarboximidate?
The InChIKey is HIZBBMJRKKKMKY-SREVYHEPSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-6(7)5-3-4-5/h5,7H,2-4H2,1H3/b7-6-.
What are the key properties of ethyl cyclopropanecarboximidate?
ethyl cyclopropanecarboximidate has a molecular weight of 113.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl cyclopropanecarboximidate is sourced from PubChem (CID 14518434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).