1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile

C11H15NO2 — CID 13218021

IUPAC1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile
SMILESCCO/C=C/CC1(C#N)CCCC1=O
InChIInChI=1S/C11H15NO2/c1-2-14-8-4-7-11(9-12)6-3-5-10(11)13/h4,8H,2-3,5-7H2,1H3/b8-4+
InChIKeyGTRYLNARLUZQNH-XBXARRHUSA-N
MW193.25 g/mol
LogP2.19
Rot. Bonds4

About 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile

1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile (PubChem CID 13218021) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile
PubChem CID13218021
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile
SMILESCCO/C=C/CC1(C#N)CCCC1=O
InChIInChI=1S/C11H15NO2/c1-2-14-8-4-7-11(9-12)6-3-5-10(11)13/h4,8H,2-3,5-7H2,1H3/b8-4+
InChIKeyGTRYLNARLUZQNH-XBXARRHUSA-N
XLogP2.19
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile?
The IUPAC name of 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile (CID 13218021) is 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile is CCO/C=C/CC1(C#N)CCCC1=O.
What is the InChIKey of 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile?
The InChIKey is GTRYLNARLUZQNH-XBXARRHUSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-8-4-7-11(9-12)6-3-5-10(11)13/h4,8H,2-3,5-7H2,1H3/b8-4+.
What are the key properties of 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile?
1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-ethoxyprop-2-enyl]-2-oxocyclopentane-1-carbonitrile is sourced from PubChem (CID 13218021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).