(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone

C12H16N2O3 — CID 114103087

IUPAC(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESCCc1occc1C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C12H16N2O3/c1-2-11-10(5-8-17-11)12(15)14-6-3-9(13-16)4-7-14/h5,8,16H,2-4,6-7H2,1H3
InChIKeySCBBKMDOJUPOTD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.91
Rot. Bonds2

About (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone

(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 114103087) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID114103087
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESCCc1occc1C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C12H16N2O3/c1-2-11-10(5-8-17-11)12(15)14-6-3-9(13-16)4-7-14/h5,8,16H,2-4,6-7H2,1H3
InChIKeySCBBKMDOJUPOTD-UHFFFAOYSA-N
XLogP1.91
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.91
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'}

Analyze (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone 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

(3,5-dimethylpiperazin-1-yl)-(2-ethylfuran-3-yl)methanone
CID 114103325
2-[1-(2-ethylfuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 114102920
1-(2-ethylfuran-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964618
(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114343719
[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]-(2-propylfuran-3-yl)methanone
CID 126830053
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589
[2-(2-bromopropyl)piperidin-1-yl]-(2-ethylfuran-3-yl)methanone
CID 112748524
(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312
(4-bromo-2-chlorophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 43805526
(4-hydroxyiminopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 24697162
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
(2,5-dichlorothiophen-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 107962407

Frequently Asked Questions

What is the IUPAC name of (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 114103087) is (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone is CCc1occc1C(=O)N1CCC(=NO)CC1.
What is the InChIKey of (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is SCBBKMDOJUPOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-11-10(5-8-17-11)12(15)14-6-3-9(13-16)4-7-14/h5,8,16H,2-4,6-7H2,1H3.
What are the key properties of (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylfuran-3-yl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 114103087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).