ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate

C11H17NO3 — CID 13193714

IUPACethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate
SMILESCCCN1C(=O)CC/C1=C\C(=O)OCC
InChIInChI=1S/C11H17NO3/c1-3-7-12-9(5-6-10(12)13)8-11(14)15-4-2/h8H,3-7H2,1-2H3/b9-8+
InChIKeyHJYMQDPPCNYWKK-CMDGGOBGSA-N
MW211.26 g/mol
LogP1.47
Rot. Bonds4

About ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate

ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate (PubChem CID 13193714) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate
PubChem CID13193714
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate
SMILESCCCN1C(=O)CC/C1=C\C(=O)OCC
InChIInChI=1S/C11H17NO3/c1-3-7-12-9(5-6-10(12)13)8-11(14)15-4-2/h8H,3-7H2,1-2H3/b9-8+
InChIKeyHJYMQDPPCNYWKK-CMDGGOBGSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
diethyl (Z)-2-(2,5-dioxopyrrolidin-1-yl)but-2-enedioate
CID 11402949
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
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ethyl (2E)-2-(1-prop-2-ynylpyrrolidin-2-ylidene)acetate
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4-O-ethyl 1-O-methyl (Z)-2-(2,5-dioxopyrrolidin-1-yl)but-2-enedioate
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ethyl (2Z)-2-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)acetate
CID 12748855
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 7986332
ethyl (2Z)-2-[4-oxo-3-[2-oxo-2-(propylamino)ethyl]-1,3-thiazolidin-2-ylidene]acetate
CID 7667813
ethyl 2-[(1S,5R)-3-methyl-3-azabicyclo[3.2.1]octan-8-ylidene]acetate
CID 11789034
ethyl (2E)-2-(1-diethoxyphosphoryl-5-methylpyrrolidin-2-ylidene)acetate
CID 10638272

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate (CID 13193714) is ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate is CCCN1C(=O)CC/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate?
The InChIKey is HJYMQDPPCNYWKK-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-7-12-9(5-6-10(12)13)8-11(14)15-4-2/h8H,3-7H2,1-2H3/b9-8+.
What are the key properties of ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate?
ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate has a molecular weight of 211.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(5-oxo-1-propylpyrrolidin-2-ylidene)acetate is sourced from PubChem (CID 13193714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).