ethyl (2E)-2-pyrrolidin-2-ylideneacetate

C8H13NO2 — CID 11116283

IUPACethyl (2E)-2-pyrrolidin-2-ylideneacetate
SMILESCCOC(=O)/C=C1\CCCN1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h6,9H,2-5H2,1H3/b7-6+
InChIKeyLHJWLENSDKDMPJ-VOTSOKGWSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds2

About ethyl (2E)-2-pyrrolidin-2-ylideneacetate

ethyl (2E)-2-pyrrolidin-2-ylideneacetate (PubChem CID 11116283) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl (2E)-2-pyrrolidin-2-ylideneacetate.

Molecular Properties

Compound Nameethyl (2E)-2-pyrrolidin-2-ylideneacetate
PubChem CID11116283
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl (2E)-2-pyrrolidin-2-ylideneacetate
SMILESCCOC(=O)/C=C1\CCCN1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h6,9H,2-5H2,1H3/b7-6+
InChIKeyLHJWLENSDKDMPJ-VOTSOKGWSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-pyrrolidin-2-ylideneacetate?
The IUPAC name of ethyl (2E)-2-pyrrolidin-2-ylideneacetate (CID 11116283) is ethyl (2E)-2-pyrrolidin-2-ylideneacetate.
What is the SMILES notation for ethyl (2E)-2-pyrrolidin-2-ylideneacetate?
The canonical SMILES for ethyl (2E)-2-pyrrolidin-2-ylideneacetate is CCOC(=O)/C=C1\CCCN1.
What is the InChIKey of ethyl (2E)-2-pyrrolidin-2-ylideneacetate?
The InChIKey is LHJWLENSDKDMPJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10)6-7-4-3-5-9-7/h6,9H,2-5H2,1H3/b7-6+.
What are the key properties of ethyl (2E)-2-pyrrolidin-2-ylideneacetate?
ethyl (2E)-2-pyrrolidin-2-ylideneacetate has a molecular weight of 155.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-pyrrolidin-2-ylideneacetate is sourced from PubChem (CID 11116283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).