2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone

C15H20N2O3 — CID 24691151

IUPAC2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC/C(=N\O)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O3/c1-2-13(16-19)12-7-3-4-8-14(12)20-11-15(18)17-9-5-6-10-17/h3-4,7-8,19H,2,5-6,9-11H2,1H3/b16-13+
InChIKeyCDVWRIDONWXTQN-DTQAZKPQSA-N
MW276.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 24691151) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID24691151
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCC/C(=N\O)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C15H20N2O3/c1-2-13(16-19)12-7-3-4-8-14(12)20-11-15(18)17-9-5-6-10-17/h3-4,7-8,19H,2,5-6,9-11H2,1H3/b16-13+
InChIKeyCDVWRIDONWXTQN-DTQAZKPQSA-N
XLogP2.28
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24704040
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
N-tert-butyl-2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]acetamide
CID 24689546
(NE)-N-[1-[2-(2-chloroprop-2-enoxy)phenyl]propylidene]hydroxylamine
CID 43823257
(NE)-N-[1-(2-prop-2-ynoxyphenyl)propylidene]hydroxylamine
CID 24695847
2-[2-(1-hydroxyethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43504036
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
2-[2-(C-ethyl-N-hydroxycarbonimidoyl)phenoxy]-N-pentan-2-ylacetamide
CID 76905167
2-(2-oxo-2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 4992160
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 24691151) is 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone is CC/C(=N\O)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is CDVWRIDONWXTQN-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-13(16-19)12-7-3-4-8-14(12)20-11-15(18)17-9-5-6-10-17/h3-4,7-8,19H,2,5-6,9-11H2,1H3/b16-13+.
What are the key properties of 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 276.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 24691151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).