[4-(prop-2-enoylamino)phenyl]mercury

C9H8HgNO — CID 67534138

IUPAC[4-(prop-2-enoylamino)phenyl]mercury
SMILESC=CC(=O)Nc1ccc([Hg])cc1
InChIInChI=1S/C9H8NO.Hg/c1-2-9(11)10-8-6-4-3-5-7-8;/h2,4-7H,1H2,(H,10,11);
InChIKeyXVDPYFLVIDZHAS-UHFFFAOYSA-N
MW346.76 g/mol
LogP0.98
Rot. Bonds2

About [4-(prop-2-enoylamino)phenyl]mercury

[4-(prop-2-enoylamino)phenyl]mercury (PubChem CID 67534138) has the molecular formula C9H8HgNO and a molecular weight of 346.76 g/mol. Its IUPAC name is [4-(prop-2-enoylamino)phenyl]mercury.

Molecular Properties

Compound Name[4-(prop-2-enoylamino)phenyl]mercury
PubChem CID67534138
Molecular FormulaC9H8HgNO
Molecular Weight346.76 g/mol
Exact Mass348.03
IUPAC Name[4-(prop-2-enoylamino)phenyl]mercury
SMILESC=CC(=O)Nc1ccc([Hg])cc1
InChIInChI=1S/C9H8NO.Hg/c1-2-9(11)10-8-6-4-3-5-7-8;/h2,4-7H,1H2,(H,10,11);
InChIKeyXVDPYFLVIDZHAS-UHFFFAOYSA-N
XLogP0.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
tert-butyl N-[4-(prop-2-enoylamino)phenyl]carbamate
CID 70001681
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
3-oxo-3-[4-(prop-2-enoylamino)phenoxy]propanoic acid
CID 163511042
N-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 174817495
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
[4-[[4-(prop-2-enoylamino)phenyl]diazenyl]phenyl] prop-2-enoate
CID 138481562
[4-(prop-2-enoylamino)phenyl] 2-bromo-2-methylpropanoate
CID 102031609

Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enoylamino)phenyl]mercury?
The IUPAC name of [4-(prop-2-enoylamino)phenyl]mercury (CID 67534138) is [4-(prop-2-enoylamino)phenyl]mercury.
What is the SMILES notation for [4-(prop-2-enoylamino)phenyl]mercury?
The canonical SMILES for [4-(prop-2-enoylamino)phenyl]mercury is C=CC(=O)Nc1ccc([Hg])cc1.
What is the InChIKey of [4-(prop-2-enoylamino)phenyl]mercury?
The InChIKey is XVDPYFLVIDZHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NO.Hg/c1-2-9(11)10-8-6-4-3-5-7-8;/h2,4-7H,1H2,(H,10,11);.
What are the key properties of [4-(prop-2-enoylamino)phenyl]mercury?
[4-(prop-2-enoylamino)phenyl]mercury has a molecular weight of 346.76 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(prop-2-enoylamino)phenyl]mercury is sourced from PubChem (CID 67534138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).