piperidine;prop-2-enehydrazide

C8H17N3O — CID 161038533

IUPACpiperidine;prop-2-enehydrazide
SMILESC1CCNCC1.C=CC(=O)NN
InChIInChI=1S/C5H11N.C3H6N2O/c1-2-4-6-5-3-1;1-2-3(6)5-4/h6H,1-5H2;2H,1,4H2,(H,5,6)
InChIKeyUAOPJJVPHCLFHB-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.08
Rot. Bonds1

About piperidine;prop-2-enehydrazide

piperidine;prop-2-enehydrazide (PubChem CID 161038533) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is piperidine;prop-2-enehydrazide.

Molecular Properties

Compound Namepiperidine;prop-2-enehydrazide
PubChem CID161038533
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Namepiperidine;prop-2-enehydrazide
SMILESC1CCNCC1.C=CC(=O)NN
InChIInChI=1S/C5H11N.C3H6N2O/c1-2-4-6-5-3-1;1-2-3(6)5-4/h6H,1-5H2;2H,1,4H2,(H,5,6)
InChIKeyUAOPJJVPHCLFHB-UHFFFAOYSA-N
XLogP-0.08
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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 piperidine;prop-2-enehydrazide?
The IUPAC name of piperidine;prop-2-enehydrazide (CID 161038533) is piperidine;prop-2-enehydrazide.
What is the SMILES notation for piperidine;prop-2-enehydrazide?
The canonical SMILES for piperidine;prop-2-enehydrazide is C1CCNCC1.C=CC(=O)NN.
What is the InChIKey of piperidine;prop-2-enehydrazide?
The InChIKey is UAOPJJVPHCLFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6N2O/c1-2-4-6-5-3-1;1-2-3(6)5-4/h6H,1-5H2;2H,1,4H2,(H,5,6).
What are the key properties of piperidine;prop-2-enehydrazide?
piperidine;prop-2-enehydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;prop-2-enehydrazide is sourced from PubChem (CID 161038533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).