methyl (E)-3-(4-azidophenyl)prop-2-enoate

C10H9N3O2 — CID 11009012

IUPACmethyl (E)-3-(4-azidophenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)7-4-8-2-5-9(6-3-8)12-13-11/h2-7H,1H3/b7-4+
InChIKeyARKZMTWAXDUTKN-QPJJXVBHSA-N
MW203.20 g/mol
LogP2.81
Rot. Bonds3

About methyl (E)-3-(4-azidophenyl)prop-2-enoate

methyl (E)-3-(4-azidophenyl)prop-2-enoate (PubChem CID 11009012) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl (E)-3-(4-azidophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-azidophenyl)prop-2-enoate
PubChem CID11009012
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Namemethyl (E)-3-(4-azidophenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C10H9N3O2/c1-15-10(14)7-4-8-2-5-9(6-3-8)12-13-11/h2-7H,1H3/b7-4+
InChIKeyARKZMTWAXDUTKN-QPJJXVBHSA-N
XLogP2.81
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,3-bis(4-azidophenyl)prop-2-en-1-one
CID 91521628
(2,5-dioxopyrrolidin-1-yl) 3-(4-azidophenyl)prop-2-enoate
CID 71330676
CID 158206097
CID 158206097
3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
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-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 3-(4-methanehydrazonoylphenyl)prop-2-enoate
CID 71365484

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-azidophenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-azidophenyl)prop-2-enoate (CID 11009012) is methyl (E)-3-(4-azidophenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-azidophenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-azidophenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of methyl (E)-3-(4-azidophenyl)prop-2-enoate?
The InChIKey is ARKZMTWAXDUTKN-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-15-10(14)7-4-8-2-5-9(6-3-8)12-13-11/h2-7H,1H3/b7-4+.
What are the key properties of methyl (E)-3-(4-azidophenyl)prop-2-enoate?
methyl (E)-3-(4-azidophenyl)prop-2-enoate has a molecular weight of 203.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-azidophenyl)prop-2-enoate is sourced from PubChem (CID 11009012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).