tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate

C10H18N2O2 — CID 170011112

IUPACtert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate
SMILESC=C(/C=N/C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-8(6-11-5)7-12-9(13)14-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,13)/b11-6+
InChIKeyUHXHHGHBFUXUIV-IZZDOVSWSA-N
MW198.27 g/mol
LogP1.77
Rot. Bonds3

About tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate

tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate (PubChem CID 170011112) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate
PubChem CID170011112
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate
SMILESC=C(/C=N/C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O2/c1-8(6-11-5)7-12-9(13)14-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,13)/b11-6+
InChIKeyUHXHHGHBFUXUIV-IZZDOVSWSA-N
XLogP1.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(E)-2-methylidenedec-3-enyl]carbamate
CID 135045437
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-[(3Z,5E)-5-ethylsulfonyl-2-methylidenehepta-3,5-dienyl]carbamate
CID 166689590
tert-butyl N-(3,3-difluoro-2-oxopropyl)carbamate
CID 105462603
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
CID 144701048
tert-butyl N-(4-chloro-2,3-dimethylidenehex-4-enyl)carbamate
CID 123784488
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-(2-methylbuta-2,3-dienyl)carbamate
CID 167104188
tert-butyl N-(2-oxohex-5-enyl)carbamate
CID 178201050
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate (CID 170011112) is tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate is C=C(/C=N/C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate?
The InChIKey is UHXHHGHBFUXUIV-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(6-11-5)7-12-9(13)14-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,13)/b11-6+.
What are the key properties of tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate?
tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate has a molecular weight of 198.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(methyliminomethyl)prop-2-enyl]carbamate is sourced from PubChem (CID 170011112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).