tert-butyl N-(3-methylidenecyclobutyl)ethanimidate

C11H19NO — CID 91457897

IUPACtert-butyl N-(3-methylidenecyclobutyl)ethanimidate
SMILESC=C1CC(/N=C(\C)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-8-6-10(7-8)12-9(2)13-11(3,4)5/h10H,1,6-7H2,2-5H3/b12-9+
InChIKeyBYZPEOPTEQBDPA-FMIVXFBMSA-N
MW181.28 g/mol
LogP2.94
Rot. Bonds1

About tert-butyl N-(3-methylidenecyclobutyl)ethanimidate

tert-butyl N-(3-methylidenecyclobutyl)ethanimidate (PubChem CID 91457897) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is tert-butyl N-(3-methylidenecyclobutyl)ethanimidate.

Molecular Properties

Compound Nametert-butyl N-(3-methylidenecyclobutyl)ethanimidate
PubChem CID91457897
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Nametert-butyl N-(3-methylidenecyclobutyl)ethanimidate
SMILESC=C1CC(/N=C(\C)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-8-6-10(7-8)12-9(2)13-11(3,4)5/h10H,1,6-7H2,2-5H3/b12-9+
InChIKeyBYZPEOPTEQBDPA-FMIVXFBMSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
CID 58332012
tert-butyl (2S)-2-(3-methylidenecyclobutyl)propanoate
CID 89035550
tert-butyl 3-(3-methylidenecyclobutyl)propanoate
CID 159592323
tert-butyl 5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 19955570
tert-butyl (1R,5S)-3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 97267889
tert-butyl N-[(1S,5R)-3-methylidene-7-nitroso-9-bicyclo[3.3.1]nonanyl]carbamate
CID 91445252
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
trans-methyl (1S,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 124527040
tert-butyl N-methylethanehydrazonate
CID 159503466
tert-butyl 2-methylidenespiro[2.2]pentane-1-carboxylate
CID 10845089
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
tert-butyl (2S)-2-acetyl-4-methylidenepyrrolidine-1-carboxylate;ethane
CID 144773533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylidenecyclobutyl)ethanimidate?
The IUPAC name of tert-butyl N-(3-methylidenecyclobutyl)ethanimidate (CID 91457897) is tert-butyl N-(3-methylidenecyclobutyl)ethanimidate.
What is the SMILES notation for tert-butyl N-(3-methylidenecyclobutyl)ethanimidate?
The canonical SMILES for tert-butyl N-(3-methylidenecyclobutyl)ethanimidate is C=C1CC(/N=C(\C)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(3-methylidenecyclobutyl)ethanimidate?
The InChIKey is BYZPEOPTEQBDPA-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-10(7-8)12-9(2)13-11(3,4)5/h10H,1,6-7H2,2-5H3/b12-9+.
What are the key properties of tert-butyl N-(3-methylidenecyclobutyl)ethanimidate?
tert-butyl N-(3-methylidenecyclobutyl)ethanimidate has a molecular weight of 181.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylidenecyclobutyl)ethanimidate is sourced from PubChem (CID 91457897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).