methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate

C11H12N2O2 — CID 71365484

IUPACmethyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(C=NN)cc1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)7-6-9-2-4-10(5-3-9)8-13-12/h2-8H,12H2,1H3
InChIKeyJKJLRQSAOJQHLL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.17
Rot. Bonds3

About methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate

methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate (PubChem CID 71365484) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
PubChem CID71365484
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(C=NN)cc1
InChIInChI=1S/C11H12N2O2/c1-15-11(14)7-6-9-2-4-10(5-3-9)8-13-12/h2-8H,12H2,1H3
InChIKeyJKJLRQSAOJQHLL-UHFFFAOYSA-N
XLogP1.17
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558
methyl (E)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]prop-2-enoate
CID 87885126
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
CID 170307380
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
methyl (E)-3-(3,4-dinitrosophenyl)prop-2-enoate
CID 88910633
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate (CID 71365484) is methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate is COC(=O)C=Cc1ccc(C=NN)cc1.
What is the InChIKey of methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate?
The InChIKey is JKJLRQSAOJQHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)7-6-9-2-4-10(5-3-9)8-13-12/h2-8H,12H2,1H3.
What are the key properties of methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate?
methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate has a molecular weight of 204.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate is sourced from PubChem (CID 71365484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).