tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate

C10H17FN2O2 — CID 137358606

IUPACtert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1/CCCC1F
InChIInChI=1S/C10H17FN2O2/c1-10(2,3)15-9(14)13-12-8-6-4-5-7(8)11/h7H,4-6H2,1-3H3,(H,13,14)/b12-8-
InChIKeyZBWQBLNVGDXGPY-WQLSENKSSA-N
MW216.26 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate

tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate (PubChem CID 137358606) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
PubChem CID137358606
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Nametert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C1/CCCC1F
InChIInChI=1S/C10H17FN2O2/c1-10(2,3)15-9(14)13-12-8-6-4-5-7(8)11/h7H,4-6H2,1-3H3,(H,13,14)/b12-8-
InChIKeyZBWQBLNVGDXGPY-WQLSENKSSA-N
XLogP2.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-(2-fluorocyclopentylidene)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

tert-butyl N-[(4-methylcyclohexylidene)amino]carbamate
CID 3505257
tert-butyl N-[(1-cyclopropylpiperidin-4-ylidene)amino]carbamate
CID 67160005
tert-butyl N-[(E)-oxan-3-ylideneamino]carbamate
CID 131984906
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
CID 171829556
tert-butyl N-[(E)-4-oxaspiro[2.4]heptan-7-ylideneamino]carbamate
CID 166507406
tert-butyl N-(4-methylidenecycloheptyl)carbamate
CID 167064848
tert-butyl N-[(3E)-3-(hydroxymethylidene)cyclohexyl]carbamate
CID 139566496
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(E)-[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]carbamate
CID 6141635

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate (CID 137358606) is tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate is CC(C)(C)OC(=O)N/N=C1/CCCC1F.
What is the InChIKey of tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate?
The InChIKey is ZBWQBLNVGDXGPY-WQLSENKSSA-N. The full InChI is InChI=1S/C10H17FN2O2/c1-10(2,3)15-9(14)13-12-8-6-4-5-7(8)11/h7H,4-6H2,1-3H3,(H,13,14)/b12-8-.
What are the key properties of tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate?
tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate has a molecular weight of 216.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-(2-fluorocyclopentylidene)amino]carbamate is sourced from PubChem (CID 137358606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).