[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol

C13H20N4O5 — CID 163167528

IUPAC[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol
SMILESC[C@@H]1CCC(=NNc2ccc(N(O)O)cc2N(O)O)[C@@H]1CO
InChIInChI=1S/C13H20N4O5/c1-8-2-4-11(10(8)7-18)14-15-12-5-3-9(16(19)20)6-13(12)17(21)22/h3,5-6,8,10,15,18-22H,2,4,7H2,1H3/t8-,10-/m1/s1
InChIKeyUBAVXMDABFPTGS-PSASIEDQSA-N
MW312.33 g/mol
LogP1.66
Rot. Bonds5

About [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol

[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol (PubChem CID 163167528) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol
PubChem CID163167528
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol
SMILESC[C@@H]1CCC(=NNc2ccc(N(O)O)cc2N(O)O)[C@@H]1CO
InChIInChI=1S/C13H20N4O5/c1-8-2-4-11(10(8)7-18)14-15-12-5-3-9(16(19)20)6-13(12)17(21)22/h3,5-6,8,10,15,18-22H,2,4,7H2,1H3/t8-,10-/m1/s1
InChIKeyUBAVXMDABFPTGS-PSASIEDQSA-N
XLogP1.66
TPSA132.02 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 51.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol?
The IUPAC name of [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol (CID 163167528) is [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol is C[C@@H]1CCC(=NNc2ccc(N(O)O)cc2N(O)O)[C@@H]1CO.
What is the InChIKey of [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol?
The InChIKey is UBAVXMDABFPTGS-PSASIEDQSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-8-2-4-11(10(8)7-18)14-15-12-5-3-9(16(19)20)6-13(12)17(21)22/h3,5-6,8,10,15,18-22H,2,4,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol?
[(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol has a molecular weight of 312.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-2-[[2,4-bis(dihydroxyamino)phenyl]hydrazinylidene]-5-methylcyclopentyl]methanol is sourced from PubChem (CID 163167528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).