2,6-diamino-4-pyrrolidin-1-ylphenol

C10H15N3O — CID 24752333

IUPAC2,6-diamino-4-pyrrolidin-1-ylphenol
SMILESNc1cc(N2CCCC2)cc(N)c1O
InChIInChI=1S/C10H15N3O/c11-8-5-7(6-9(12)10(8)14)13-3-1-2-4-13/h5-6,14H,1-4,11-12H2
InChIKeyCWDFFJMZFUFGDX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.16
Rot. Bonds1

About 2,6-diamino-4-pyrrolidin-1-ylphenol

2,6-diamino-4-pyrrolidin-1-ylphenol (PubChem CID 24752333) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,6-diamino-4-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2,6-diamino-4-pyrrolidin-1-ylphenol
PubChem CID24752333
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2,6-diamino-4-pyrrolidin-1-ylphenol
SMILESNc1cc(N2CCCC2)cc(N)c1O
InChIInChI=1S/C10H15N3O/c11-8-5-7(6-9(12)10(8)14)13-3-1-2-4-13/h5-6,14H,1-4,11-12H2
InChIKeyCWDFFJMZFUFGDX-UHFFFAOYSA-N
XLogP1.16
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-pyrrolidin-1-ylphenol?
The IUPAC name of 2,6-diamino-4-pyrrolidin-1-ylphenol (CID 24752333) is 2,6-diamino-4-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2,6-diamino-4-pyrrolidin-1-ylphenol?
The canonical SMILES for 2,6-diamino-4-pyrrolidin-1-ylphenol is Nc1cc(N2CCCC2)cc(N)c1O.
What is the InChIKey of 2,6-diamino-4-pyrrolidin-1-ylphenol?
The InChIKey is CWDFFJMZFUFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-8-5-7(6-9(12)10(8)14)13-3-1-2-4-13/h5-6,14H,1-4,11-12H2.
What are the key properties of 2,6-diamino-4-pyrrolidin-1-ylphenol?
2,6-diamino-4-pyrrolidin-1-ylphenol has a molecular weight of 193.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-pyrrolidin-1-ylphenol is sourced from PubChem (CID 24752333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).