(E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide

C10H17N3O — CID 84613643

IUPAC(E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/C1CN2CCC1CC2
InChIInChI=1S/C10H17N3O/c11-12-10(14)2-1-9-7-13-5-3-8(9)4-6-13/h1-2,8-9H,3-7,11H2,(H,12,14)/b2-1+
InChIKeyASYFHHIJHLKHDA-OWOJBTEDSA-N
MW195.27 g/mol
LogP-0.13
Rot. Bonds2

About (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide

(E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide (PubChem CID 84613643) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide
PubChem CID84613643
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide
SMILESNNC(=O)/C=C/C1CN2CCC1CC2
InChIInChI=1S/C10H17N3O/c11-12-10(14)2-1-9-7-13-5-3-8(9)4-6-13/h1-2,8-9H,3-7,11H2,(H,12,14)/b2-1+
InChIKeyASYFHHIJHLKHDA-OWOJBTEDSA-N
XLogP-0.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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 (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide (CID 84613643) is (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide is NNC(=O)/C=C/C1CN2CCC1CC2.
What is the InChIKey of (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide?
The InChIKey is ASYFHHIJHLKHDA-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H17N3O/c11-12-10(14)2-1-9-7-13-5-3-8(9)4-6-13/h1-2,8-9H,3-7,11H2,(H,12,14)/b2-1+.
What are the key properties of (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide?
(E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide has a molecular weight of 195.27 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-azabicyclo[2.2.2]octan-3-yl)prop-2-enehydrazide is sourced from PubChem (CID 84613643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).