methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate

C10H16N2O4 — CID 23272978

IUPACmethyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate
SMILESCOC(=O)N/N=C1\C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C10H16N2O4/c1-9(2)6(11-12-8(14)15-5)7(13)10(3,4)16-9/h1-5H3,(H,12,14)/b11-6+
InChIKeyXDXUUEFFUHDBQY-IZZDOVSWSA-N
MW228.25 g/mol
LogP0.85
Rot. Bonds1

About methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate

methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate (PubChem CID 23272978) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate
PubChem CID23272978
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate
SMILESCOC(=O)N/N=C1\C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C10H16N2O4/c1-9(2)6(11-12-8(14)15-5)7(13)10(3,4)16-9/h1-5H3,(H,12,14)/b11-6+
InChIKeyXDXUUEFFUHDBQY-IZZDOVSWSA-N
XLogP0.85
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate 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

methyl N-[(3-methyl-2-oxocyclopentylidene)amino]carbamate
CID 130770744
methyl N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]carbamate
CID 9075082
methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate
CID 155759527
methyl N-[(Z)-(2-oxo-1-phenylpropylidene)amino]carbamate
CID 6309358
methyl N-[(2-oxoacenaphthylen-1-ylidene)amino]carbamate
CID 2489180
methyl (1E)-N-methoxycarbonylethanehydrazonate
CID 118028972
ethyl 4-(methoxycarbonylamino)-5,5-dimethyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 10563269
methyl 3,4,4,5,5-pentamethyl-2-oxooxolane-3-carboxylate
CID 59491984
methyl (3S,4S)-3-hydroxy-2,3,4-trimethyl-5-oxocyclopentene-1-carboxylate
CID 101063156
[4-[5-(4-bromothiophen-2-yl)-2-methylphenyl]-2,2,6,6-tetramethyl-5-oxopyran-3-yl] methyl carbonate
CID 58515880
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate
CID 135710723

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate?
The IUPAC name of methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate (CID 23272978) is methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate?
The canonical SMILES for methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate is COC(=O)N/N=C1\C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate?
The InChIKey is XDXUUEFFUHDBQY-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-9(2)6(11-12-8(14)15-5)7(13)10(3,4)16-9/h1-5H3,(H,12,14)/b11-6+.
What are the key properties of methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate?
methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate has a molecular weight of 228.25 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate is sourced from PubChem (CID 23272978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).