N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine

C15H21N3O4 — CID 73246530

IUPACN-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine
SMILESCc1ccc(C2=[N+]([O-])C3(CCCCC3=NO)N(O)C2(C)C)o1
InChIInChI=1S/C15H21N3O4/c1-10-7-8-11(22-10)13-14(2,3)18(21)15(17(13)20)9-5-4-6-12(15)16-19/h7-8,19,21H,4-6,9H2,1-3H3
InChIKeyDRHZEMHEGIGUOT-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.47
Rot. Bonds1

About N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine

N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine (PubChem CID 73246530) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine
PubChem CID73246530
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine
SMILESCc1ccc(C2=[N+]([O-])C3(CCCCC3=NO)N(O)C2(C)C)o1
InChIInChI=1S/C15H21N3O4/c1-10-7-8-11(22-10)13-14(2,3)18(21)15(17(13)20)9-5-4-6-12(15)16-19/h7-8,19,21H,4-6,9H2,1-3H3
InChIKeyDRHZEMHEGIGUOT-UHFFFAOYSA-N
XLogP2.47
TPSA95.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine 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

[(Z)-[(5S)-1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.6]undec-3-en-6-ylidene]amino]thiourea
CID 7476860
[(Z)-1-[(2S)-3-hydroxy-2,4,4-trimethyl-5-(5-methylfuran-2-yl)-1-oxidoimidazol-1-ium-2-yl]ethylideneamino]urea
CID 8932798
[(E)-(1-hydroxy-2,2-dimethyl-4-oxido-3-thiophen-2-yl-1-aza-4-azoniaspiro[4.6]undec-3-en-6-ylidene)amino]thiourea
CID 5337311
2-methyl-2-(5-methylfuran-2-yl)piperidine
CID 117271321
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 80597123
1-(5-methylfuran-2-yl)cyclopentan-1-amine
CID 96736840
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
2-methyl-3-(5-methylfuran-2-yl)-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
CID 2289132
(2S)-2-ethyl-N-[(5-methylfuran-2-yl)methyl]-7-oxoazepane-2-carboxamide
CID 99766904
1-[1-(5-methylfuran-2-yl)cyclohexyl]piperidine
CID 97355679
(NZ)-N-(2-methoxy-2-phenylcycloheptylidene)hydroxylamine
CID 6152169
[1-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]cyclopentyl]methanol
CID 115358774

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine?
The IUPAC name of N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine (CID 73246530) is N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine?
The canonical SMILES for N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine is Cc1ccc(C2=[N+]([O-])C3(CCCCC3=NO)N(O)C2(C)C)o1.
What is the InChIKey of N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine?
The InChIKey is DRHZEMHEGIGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-7-8-11(22-10)13-14(2,3)18(21)15(17(13)20)9-5-4-6-12(15)16-19/h7-8,19,21H,4-6,9H2,1-3H3.
What are the key properties of N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine?
N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine has a molecular weight of 307.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2,2-dimethyl-3-(5-methylfuran-2-yl)-4-oxido-1-aza-4-azoniaspiro[4.5]dec-3-en-6-ylidene]hydroxylamine is sourced from PubChem (CID 73246530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).