2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone

C16H18N2O3 — CID 5136485

IUPAC2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
SMILESCC(=NOCC(=O)N1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H18N2O3/c1-12(15-10-13-6-2-3-7-14(13)21-15)17-20-11-16(19)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyIPVWNRYIZWGUJD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone

2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone (PubChem CID 5136485) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
PubChem CID5136485
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone
SMILESCC(=NOCC(=O)N1CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H18N2O3/c1-12(15-10-13-6-2-3-7-14(13)21-15)17-20-11-16(19)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11H2,1H3
InChIKeyIPVWNRYIZWGUJD-UHFFFAOYSA-N
XLogP2.80
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-2-yl)-N-[[4-[[1-(1-benzofuran-2-yl)ethylideneamino]oxymethyl]phenyl]methoxy]ethanimine
CID 3593438
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7193669
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-benzyl-N-(2-phenylethyl)acetamide
CID 3930338
(E)-1-(1-benzofuran-2-yl)-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 139086407
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 4008216
1-(1-benzofuran-2-yl)ethanone
CID 15435
ethyl 4-(1-benzofuran-2-carbonyl)piperazine-1-carboxylate
CID 6457707
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194015
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
[2-(azepan-1-yl)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2433745
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone (CID 5136485) is 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone is CC(=NOCC(=O)N1CCCC1)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone?
The InChIKey is IPVWNRYIZWGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(15-10-13-6-2-3-7-14(13)21-15)17-20-11-16(19)18-8-4-5-9-18/h2-3,6-7,10H,4-5,8-9,11H2,1H3.
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone?
2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone has a molecular weight of 286.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylideneamino]oxy-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 5136485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).