tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate

C14H18ClNO3 — CID 56614394

IUPACtert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate
SMILESCON/C(=C/C(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-14(2,3)19-13(17)9-12(16-18-4)10-7-5-6-8-11(10)15/h5-9,16H,1-4H3/b12-9+
InChIKeyBOLFIOLMXOEIPZ-FMIVXFBMSA-N
MW283.75 g/mol
LogP3.17
Rot. Bonds4

About tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate

tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate (PubChem CID 56614394) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate
PubChem CID56614394
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Nametert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate
SMILESCON/C(=C/C(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-14(2,3)19-13(17)9-12(16-18-4)10-7-5-6-8-11(10)15/h5-9,16H,1-4H3/b12-9+
InChIKeyBOLFIOLMXOEIPZ-FMIVXFBMSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-Chlorophenyl)-1,2-oxazol-5-ol
CID 5056057
Ethyl 3-amino-3-(4-chlorophenyl)acrylate
CID 100999922
ethyl (Z)-3-amino-4-(2-chloro-6-fluorophenyl)but-2-enoate
CID 143903381
Ethyl 3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoate
CID 177904214
Methyl 3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 177904299
Ethyl 3-amino-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 177904377
ethyl (Z)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoate
CID 178058750
ethyl (Z)-3-amino-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 178058807
methyl (Z)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 178058986
methyl 3-(4-chlorophenyl)-5-oxo-2H-1,2-oxazole-4-carboxylate
CID 22334912
ethyl (Z)-3-amino-4-(3-chlorophenyl)but-2-enoate
CID 44157398
ethyl (Z)-3-amino-5-(3-chlorophenyl)pent-2-enoate
CID 44157402

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate (CID 56614394) is tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate is CON/C(=C/C(=O)OC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate?
The InChIKey is BOLFIOLMXOEIPZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(2,3)19-13(17)9-12(16-18-4)10-7-5-6-8-11(10)15/h5-9,16H,1-4H3/b12-9+.
What are the key properties of tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate?
tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate has a molecular weight of 283.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(2-chlorophenyl)-3-(methoxyamino)prop-2-enoate is sourced from PubChem (CID 56614394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).