acetic acid;copper;3-pentyl-1H-pyrrol-2-ol

C11H19CuNO3 — CID 171476601

IUPACacetic acid;copper;3-pentyl-1H-pyrrol-2-ol
SMILESCC(=O)O.CCCCCc1cc[nH]c1O.[Cu]
InChIInChI=1S/C9H15NO.C2H4O2.Cu/c1-2-3-4-5-8-6-7-10-9(8)11;1-2(3)4;/h6-7,10-11H,2-5H2,1H3;1H3,(H,3,4);
InChIKeyMFFQAEGWAJYQKU-UHFFFAOYSA-N
MW276.82 g/mol
LogP2.54
Rot. Bonds4

About acetic acid;copper;3-pentyl-1H-pyrrol-2-ol

acetic acid;copper;3-pentyl-1H-pyrrol-2-ol (PubChem CID 171476601) has the molecular formula C11H19CuNO3 and a molecular weight of 276.82 g/mol. Its IUPAC name is acetic acid;copper;3-pentyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Nameacetic acid;copper;3-pentyl-1H-pyrrol-2-ol
PubChem CID171476601
Molecular FormulaC11H19CuNO3
Molecular Weight276.82 g/mol
Exact Mass276.07
IUPAC Nameacetic acid;copper;3-pentyl-1H-pyrrol-2-ol
SMILESCC(=O)O.CCCCCc1cc[nH]c1O.[Cu]
InChIInChI=1S/C9H15NO.C2H4O2.Cu/c1-2-3-4-5-8-6-7-10-9(8)11;1-2(3)4;/h6-7,10-11H,2-5H2,1H3;1H3,(H,3,4);
InChIKeyMFFQAEGWAJYQKU-UHFFFAOYSA-N
XLogP2.54
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.82
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-1H-pyrrol-2-ol
CID 140967880
copper;3-pentyl-1H-pyrrol-2-ol;sulfate
CID 171476600
3-acetyl-4-pentyl-1H-pyridin-2-one
CID 154981968
3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
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

Frequently Asked Questions

What is the IUPAC name of acetic acid;copper;3-pentyl-1H-pyrrol-2-ol?
The IUPAC name of acetic acid;copper;3-pentyl-1H-pyrrol-2-ol (CID 171476601) is acetic acid;copper;3-pentyl-1H-pyrrol-2-ol.
What is the SMILES notation for acetic acid;copper;3-pentyl-1H-pyrrol-2-ol?
The canonical SMILES for acetic acid;copper;3-pentyl-1H-pyrrol-2-ol is CC(=O)O.CCCCCc1cc[nH]c1O.[Cu].
What is the InChIKey of acetic acid;copper;3-pentyl-1H-pyrrol-2-ol?
The InChIKey is MFFQAEGWAJYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H4O2.Cu/c1-2-3-4-5-8-6-7-10-9(8)11;1-2(3)4;/h6-7,10-11H,2-5H2,1H3;1H3,(H,3,4);.
What are the key properties of acetic acid;copper;3-pentyl-1H-pyrrol-2-ol?
acetic acid;copper;3-pentyl-1H-pyrrol-2-ol has a molecular weight of 276.82 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;copper;3-pentyl-1H-pyrrol-2-ol is sourced from PubChem (CID 171476601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).