methyl 2-imino-4-phenylbut-3-enoate

C11H11NO2 — CID 91293785

IUPACmethyl 2-imino-4-phenylbut-3-enoate
SMILES[H]/N=C(/C=Cc1ccccc1)C(=O)OC
InChIInChI=1S/C11H11NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-8,12H,1H3/b8-7?,12-10-
InChIKeyOSUUUKNLAJLMSQ-HIFXJVIESA-N
MW189.21 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-imino-4-phenylbut-3-enoate

methyl 2-imino-4-phenylbut-3-enoate (PubChem CID 91293785) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 2-imino-4-phenylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-imino-4-phenylbut-3-enoate
PubChem CID91293785
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Namemethyl 2-imino-4-phenylbut-3-enoate
SMILES[H]/N=C(/C=Cc1ccccc1)C(=O)OC
InChIInChI=1S/C11H11NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-8,12H,1H3/b8-7?,12-10-
InChIKeyOSUUUKNLAJLMSQ-HIFXJVIESA-N
XLogP1.89
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-imino-4-phenylbut-3-enoate?
The IUPAC name of methyl 2-imino-4-phenylbut-3-enoate (CID 91293785) is methyl 2-imino-4-phenylbut-3-enoate.
What is the SMILES notation for methyl 2-imino-4-phenylbut-3-enoate?
The canonical SMILES for methyl 2-imino-4-phenylbut-3-enoate is [H]/N=C(/C=Cc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-imino-4-phenylbut-3-enoate?
The InChIKey is OSUUUKNLAJLMSQ-HIFXJVIESA-N. The full InChI is InChI=1S/C11H11NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-8,12H,1H3/b8-7?,12-10-.
What are the key properties of methyl 2-imino-4-phenylbut-3-enoate?
methyl 2-imino-4-phenylbut-3-enoate has a molecular weight of 189.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-imino-4-phenylbut-3-enoate is sourced from PubChem (CID 91293785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).