tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate

C11H18N2O3 — CID 166507406

IUPACtert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1\CCOC12CC2
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-12-8-4-7-15-11(8)5-6-11/h4-7H2,1-3H3,(H,13,14)/b12-8+
InChIKeyMSKSVBPOMXPSOO-XYOKQWHBSA-N
MW226.28 g/mol
LogP1.82
Rot. Bonds1

About tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate

tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate (PubChem CID 166507406) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
PubChem CID166507406
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1\CCOC12CC2
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-12-8-4-7-15-11(8)5-6-11/h4-7H2,1-3H3,(H,13,14)/b12-8+
InChIKeyMSKSVBPOMXPSOO-XYOKQWHBSA-N
XLogP1.82
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]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

tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
CID 131984906
tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
CID 3505257
tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
CID 67160005
tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
CID 137358606
tert-butyl N-[(Z)-butan-2-ylideneamino]carbamate
CID 124927744
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid
CID 175188581
tert-butyl N-(1,5,9-trioxaspiro[5.5]undecan-3-yl)carbamate
CID 175877569
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
tert-butyl N-[3-oxo-3-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]carbamate
CID 9372150
tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate
CID 167725838
tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
CID 167104188

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate (CID 166507406) is tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C1\CCOC12CC2.
What is the InChIKey of tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate?
The InChIKey is MSKSVBPOMXPSOO-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-12-8-4-7-15-11(8)5-6-11/h4-7H2,1-3H3,(H,13,14)/b12-8+.
What are the key properties of tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate?
tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate is sourced from PubChem (CID 166507406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).