ethyl 2-pyrrolidin-1-ylethanimidate

C8H16N2O — CID 55267880

IUPACethyl 2-pyrrolidin-1-ylethanimidate
SMILES[H]/N=C(/CN1CCCC1)OCC
InChIInChI=1S/C8H16N2O/c1-2-11-8(9)7-10-5-3-4-6-10/h9H,2-7H2,1H3/b9-8-
InChIKeyXGVQZXFFBYLGCN-HJWRWDBZSA-N
MW156.23 g/mol
LogP1.10
Rot. Bonds3

About ethyl 2-pyrrolidin-1-ylethanimidate

ethyl 2-pyrrolidin-1-ylethanimidate (PubChem CID 55267880) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is ethyl 2-pyrrolidin-1-ylethanimidate.

Molecular Properties

Compound Nameethyl 2-pyrrolidin-1-ylethanimidate
PubChem CID55267880
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Nameethyl 2-pyrrolidin-1-ylethanimidate
SMILES[H]/N=C(/CN1CCCC1)OCC
InChIInChI=1S/C8H16N2O/c1-2-11-8(9)7-10-5-3-4-6-10/h9H,2-7H2,1H3/b9-8-
InChIKeyXGVQZXFFBYLGCN-HJWRWDBZSA-N
XLogP1.10
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-pyrrolidin-1-ylethanimidate?
The IUPAC name of ethyl 2-pyrrolidin-1-ylethanimidate (CID 55267880) is ethyl 2-pyrrolidin-1-ylethanimidate.
What is the SMILES notation for ethyl 2-pyrrolidin-1-ylethanimidate?
The canonical SMILES for ethyl 2-pyrrolidin-1-ylethanimidate is [H]/N=C(/CN1CCCC1)OCC.
What is the InChIKey of ethyl 2-pyrrolidin-1-ylethanimidate?
The InChIKey is XGVQZXFFBYLGCN-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-11-8(9)7-10-5-3-4-6-10/h9H,2-7H2,1H3/b9-8-.
What are the key properties of ethyl 2-pyrrolidin-1-ylethanimidate?
ethyl 2-pyrrolidin-1-ylethanimidate has a molecular weight of 156.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrrolidin-1-ylethanimidate is sourced from PubChem (CID 55267880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).