gold(1+);1H-pyrrole-2-carboxylate

C5H4AuNO2 — CID 175933038

IUPACgold(1+);1H-pyrrole-2-carboxylate
SMILESO=C([O-])c1ccc[nH]1.[Au+]
InChIInChI=1S/C5H5NO2.Au/c7-5(8)4-2-1-3-6-4;/h1-3,6H,(H,7,8);/q;+1/p-1
InChIKeyPSSOBADJURNVGG-UHFFFAOYSA-M
MW307.06 g/mol
LogP-0.62
Rot. Bonds1

About gold(1+);1H-pyrrole-2-carboxylate

gold(1+);1H-pyrrole-2-carboxylate (PubChem CID 175933038) has the molecular formula C5H4AuNO2 and a molecular weight of 307.06 g/mol. Its IUPAC name is gold(1+);1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namegold(1+);1H-pyrrole-2-carboxylate
PubChem CID175933038
Molecular FormulaC5H4AuNO2
Molecular Weight307.06 g/mol
Exact Mass306.99
IUPAC Namegold(1+);1H-pyrrole-2-carboxylate
SMILESO=C([O-])c1ccc[nH]1.[Au+]
InChIInChI=1S/C5H5NO2.Au/c7-5(8)4-2-1-3-6-4;/h1-3,6H,(H,7,8);/q;+1/p-1
InChIKeyPSSOBADJURNVGG-UHFFFAOYSA-M
XLogP-0.62
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

chromium(3+);tris(1H-pyrrole-2-carboxylate)
CID 161170868
sodium 1H-pyrrole-2-carboxylate
CID 23665788
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone
CID 139244757
2-[(Z)-3-(1H-pyrrol-2-yl)but-2-en-2-yl]-1H-pyrrole
CID 132819412
4-(1H-pyrrole-2-carbonyl)benzoic acid
CID 86245125
(2,6-dihydroxyphenyl)-(1H-pyrrol-2-yl)methanone
CID 10198128
silver 2-sulfanylidene-1H-pyridine-3-carboxylate
CID 3006066
6-oxo-1H-pyridine-2-carboxylate
CID 6931643
[amino-(1H-pyrrole-2-carbonylamino)methylidene]azanium;acetate;hydrate
CID 139040123
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343
2-hydroxyimino-1-(1H-pyrrol-2-yl)propan-1-one
CID 130953558

Frequently Asked Questions

What is the IUPAC name of gold(1+);1H-pyrrole-2-carboxylate?
The IUPAC name of gold(1+);1H-pyrrole-2-carboxylate (CID 175933038) is gold(1+);1H-pyrrole-2-carboxylate.
What is the SMILES notation for gold(1+);1H-pyrrole-2-carboxylate?
The canonical SMILES for gold(1+);1H-pyrrole-2-carboxylate is O=C([O-])c1ccc[nH]1.[Au+].
What is the InChIKey of gold(1+);1H-pyrrole-2-carboxylate?
The InChIKey is PSSOBADJURNVGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2.Au/c7-5(8)4-2-1-3-6-4;/h1-3,6H,(H,7,8);/q;+1/p-1.
What are the key properties of gold(1+);1H-pyrrole-2-carboxylate?
gold(1+);1H-pyrrole-2-carboxylate has a molecular weight of 307.06 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);1H-pyrrole-2-carboxylate is sourced from PubChem (CID 175933038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).