3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium

C10H9N2O2+ — CID 46909770

IUPAC3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium
SMILESCOC(=O)/C=C/c1cccc([N+]#N)c1
InChIInChI=1S/C10H9N2O2/c1-14-10(13)6-5-8-3-2-4-9(7-8)12-11/h2-7H,1H3/q+1/b6-5+
InChIKeyRKXTYTOHFUBLAW-AATRIKPKSA-N
MW189.19 g/mol
LogP2.36
Rot. Bonds2

About 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium

3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium (PubChem CID 46909770) has the molecular formula C10H9N2O2+ and a molecular weight of 189.19 g/mol. Its IUPAC name is 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium.

Molecular Properties

Compound Name3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium
PubChem CID46909770
Molecular FormulaC10H9N2O2+
Molecular Weight189.19 g/mol
Exact Mass189.07
IUPAC Name3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium
SMILESCOC(=O)/C=C/c1cccc([N+]#N)c1
InChIInChI=1S/C10H9N2O2/c1-14-10(13)6-5-8-3-2-4-9(7-8)12-11/h2-7H,1H3/q+1/b6-5+
InChIKeyRKXTYTOHFUBLAW-AATRIKPKSA-N
XLogP2.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
methyl 3-(3-sulfanylphenyl)prop-2-enoate
CID 169478627
methyl (E)-3-[3-(aminomethyl)phenyl]prop-2-enoate;hydrochloride
CID 66927514
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
CID 12046535
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonate
CID 59145590
ethyl 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate
CID 101233550

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium?
The IUPAC name of 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium (CID 46909770) is 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium.
What is the SMILES notation for 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium?
The canonical SMILES for 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium is COC(=O)/C=C/c1cccc([N+]#N)c1.
What is the InChIKey of 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium?
The InChIKey is RKXTYTOHFUBLAW-AATRIKPKSA-N. The full InChI is InChI=1S/C10H9N2O2/c1-14-10(13)6-5-8-3-2-4-9(7-8)12-11/h2-7H,1H3/q+1/b6-5+.
What are the key properties of 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium?
3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium has a molecular weight of 189.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium is sourced from PubChem (CID 46909770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).