methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate

C11H10BrNO2 — CID 15192270

IUPACmethyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate
SMILESC=N/C(C(=O)OC)=C(\Br)c1ccccc1
InChIInChI=1S/C11H10BrNO2/c1-13-10(11(14)15-2)9(12)8-6-4-3-5-7-8/h3-7H,1H2,2H3/b10-9-
InChIKeyOHMIZYUDUOLUHJ-KTKRTIGZSA-N
MW268.11 g/mol
LogP2.62
Rot. Bonds3

About methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate

methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate (PubChem CID 15192270) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate
PubChem CID15192270
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Namemethyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate
SMILESC=N/C(C(=O)OC)=C(\Br)c1ccccc1
InChIInChI=1S/C11H10BrNO2/c1-13-10(11(14)15-2)9(12)8-6-4-3-5-7-8/h3-7H,1H2,2H3/b10-9-
InChIKeyOHMIZYUDUOLUHJ-KTKRTIGZSA-N
XLogP2.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-bromo-2-(4-methylphenyl)-3-phenylprop-2-enoate
CID 10735231
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
CID 157228504
CID 157228504
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methyl (Z)-3-hydroxy-2-phenyldiazenylpent-2-enoate
CID 135448457
methyl (E)-2-bromo-3-[(1-methoxy-1,3-dioxo-3-phenylpropan-2-ylidene)amino]-3-phenylprop-2-enoate
CID 102456879
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
CID 88699654
methyl 2-[(2-fluorophenyl)diazenyl]-3-hydroxybut-2-enoate
CID 171145460
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate
CID 22344585

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate?
The IUPAC name of methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate (CID 15192270) is methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate.
What is the SMILES notation for methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate?
The canonical SMILES for methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate is C=N/C(C(=O)OC)=C(\Br)c1ccccc1.
What is the InChIKey of methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate?
The InChIKey is OHMIZYUDUOLUHJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-13-10(11(14)15-2)9(12)8-6-4-3-5-7-8/h3-7H,1H2,2H3/b10-9-.
What are the key properties of methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate?
methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate has a molecular weight of 268.11 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate is sourced from PubChem (CID 15192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).