2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide

C10H19N3O2 — CID 63770170

IUPAC2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19N3O2/c1-6(10(15)12-11)13-7-2-3-8(13)5-9(14)4-7/h6-9,14H,2-5,11H2,1H3,(H,12,15)
InChIKeyPHHATSFRLVCSQH-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.65
Rot. Bonds2

About 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide (PubChem CID 63770170) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide.

Molecular Properties

Compound Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide
PubChem CID63770170
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide
SMILESCC(C(=O)NN)N1C2CCC1CC(O)C2
InChIInChI=1S/C10H19N3O2/c1-6(10(15)12-11)13-7-2-3-8(13)5-9(14)4-7/h6-9,14H,2-5,11H2,1H3,(H,12,15)
InChIKeyPHHATSFRLVCSQH-UHFFFAOYSA-N
XLogP-0.65
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide?
The IUPAC name of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide (CID 63770170) is 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide.
What is the SMILES notation for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide?
The canonical SMILES for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide is CC(C(=O)NN)N1C2CCC1CC(O)C2.
What is the InChIKey of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide?
The InChIKey is PHHATSFRLVCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(10(15)12-11)13-7-2-3-8(13)5-9(14)4-7/h6-9,14H,2-5,11H2,1H3,(H,12,15).
What are the key properties of 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide?
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide has a molecular weight of 213.28 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanehydrazide is sourced from PubChem (CID 63770170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).