copper;3-pentyl-1H-pyrrol-2-ol;sulfate

C9H15CuNO5S — CID 171476600

IUPACcopper;3-pentyl-1H-pyrrol-2-ol;sulfate
SMILESCCCCCc1cc[nH]c1O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C9H15NO.Cu.H2O4S/c1-2-3-4-5-8-6-7-10-9(8)11;;1-5(2,3)4/h6-7,10-11H,2-5H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyFCACJBBZBMWIBT-UHFFFAOYSA-L
MW312.83 g/mol
LogP1.11
Rot. Bonds4

About copper;3-pentyl-1H-pyrrol-2-ol;sulfate

copper;3-pentyl-1H-pyrrol-2-ol;sulfate (PubChem CID 171476600) has the molecular formula C9H15CuNO5S and a molecular weight of 312.83 g/mol. Its IUPAC name is copper;3-pentyl-1H-pyrrol-2-ol;sulfate.

Molecular Properties

Compound Namecopper;3-pentyl-1H-pyrrol-2-ol;sulfate
PubChem CID171476600
Molecular FormulaC9H15CuNO5S
Molecular Weight312.83 g/mol
Exact Mass312.00
IUPAC Namecopper;3-pentyl-1H-pyrrol-2-ol;sulfate
SMILESCCCCCc1cc[nH]c1O.O=S(=O)([O-])[O-].[Cu+2]
InChIInChI=1S/C9H15NO.Cu.H2O4S/c1-2-3-4-5-8-6-7-10-9(8)11;;1-5(2,3)4/h6-7,10-11H,2-5H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2
InChIKeyFCACJBBZBMWIBT-UHFFFAOYSA-L
XLogP1.11
TPSA116.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

3-hexyl-1H-pyrrol-2-ol
CID 140967880
acetic acid;copper;3-pentyl-1H-pyrrol-2-ol
CID 171476601
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
sodium 2-dodecyl-6-hydroxybenzenesulfonate
CID 23675407
2,3-dihexadecyl-1H-pyrrole
CID 175695832
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
3-dodecyl-2-ethyl-1H-pyrrole
CID 155659713
2-methyl-3-tetradecyl-1H-pyrrole;hydrobromide
CID 174987757
3-acetyl-4-pentyl-1H-pyridin-2-one
CID 154981968

Frequently Asked Questions

What is the IUPAC name of copper;3-pentyl-1H-pyrrol-2-ol;sulfate?
The IUPAC name of copper;3-pentyl-1H-pyrrol-2-ol;sulfate (CID 171476600) is copper;3-pentyl-1H-pyrrol-2-ol;sulfate.
What is the SMILES notation for copper;3-pentyl-1H-pyrrol-2-ol;sulfate?
The canonical SMILES for copper;3-pentyl-1H-pyrrol-2-ol;sulfate is CCCCCc1cc[nH]c1O.O=S(=O)([O-])[O-].[Cu+2].
What is the InChIKey of copper;3-pentyl-1H-pyrrol-2-ol;sulfate?
The InChIKey is FCACJBBZBMWIBT-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15NO.Cu.H2O4S/c1-2-3-4-5-8-6-7-10-9(8)11;;1-5(2,3)4/h6-7,10-11H,2-5H2,1H3;;(H2,1,2,3,4)/q;+2;/p-2.
What are the key properties of copper;3-pentyl-1H-pyrrol-2-ol;sulfate?
copper;3-pentyl-1H-pyrrol-2-ol;sulfate has a molecular weight of 312.83 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-pentyl-1H-pyrrol-2-ol;sulfate is sourced from PubChem (CID 171476600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).