methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate

C11H12BrNO3 — CID 143299648

IUPACmethyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
SMILESCON/C(=C\c1cccc(Br)c1)C(=O)OC
InChIInChI=1S/C11H12BrNO3/c1-15-11(14)10(13-16-2)7-8-4-3-5-9(12)6-8/h3-7,13H,1-2H3/b10-7-
InChIKeyGXBFLWKVYOKGBF-YFHOEESVSA-N
MW286.13 g/mol
LogP2.11
Rot. Bonds4

About methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate

methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate (PubChem CID 143299648) has the molecular formula C11H12BrNO3 and a molecular weight of 286.13 g/mol. Its IUPAC name is methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
PubChem CID143299648
Molecular FormulaC11H12BrNO3
Molecular Weight286.13 g/mol
Exact Mass285.00
IUPAC Namemethyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
SMILESCON/C(=C\c1cccc(Br)c1)C(=O)OC
InChIInChI=1S/C11H12BrNO3/c1-15-11(14)10(13-16-2)7-8-4-3-5-9(12)6-8/h3-7,13H,1-2H3/b10-7-
InChIKeyGXBFLWKVYOKGBF-YFHOEESVSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.11
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

methane;methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
CID 143299647
methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate
CID 57111234
methyl (Z)-3-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
CID 59021843
methyl (2E)-2-[(3-bromophenyl)methylidene]-3-oxobutanoate
CID 18401861
methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate
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3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
methyl 4-(3-bromophenyl)-2-oxobut-3-enoate
CID 70700454
[3-[3-methoxy-2-(methoxyamino)-3-oxoprop-1-enyl]phenyl] 3-chlorobenzoate
CID 57290628
(E)-2-acetamido-3-(3-bromophenyl)prop-2-enoate
CID 2259000
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
methyl (Z)-3-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 69328577
3-[2-[(3-bromophenyl)methylidene]butanoyloxy]propanoic acid
CID 175447032

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate (CID 143299648) is methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate is CON/C(=C\c1cccc(Br)c1)C(=O)OC.
What is the InChIKey of methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate?
The InChIKey is GXBFLWKVYOKGBF-YFHOEESVSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-15-11(14)10(13-16-2)7-8-4-3-5-9(12)6-8/h3-7,13H,1-2H3/b10-7-.
What are the key properties of methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate?
methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate has a molecular weight of 286.13 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate is sourced from PubChem (CID 143299648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).