2-oxopiperidine-3-carbohydrazide

C6H11N3O2 — CID 2796435

IUPAC2-oxopiperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCNC1=O
InChIInChI=1S/C6H11N3O2/c7-9-6(11)4-2-1-3-8-5(4)10/h4H,1-3,7H2,(H,8,10)(H,9,11)
InChIKeyNYCBGDUPPBUSPC-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.50
Rot. Bonds1

About 2-oxopiperidine-3-carbohydrazide

2-oxopiperidine-3-carbohydrazide (PubChem CID 2796435) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-oxopiperidine-3-carbohydrazide.

Molecular Properties

Compound Name2-oxopiperidine-3-carbohydrazide
PubChem CID2796435
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-oxopiperidine-3-carbohydrazide
SMILESNNC(=O)C1CCCNC1=O
InChIInChI=1S/C6H11N3O2/c7-9-6(11)4-2-1-3-8-5(4)10/h4H,1-3,7H2,(H,8,10)(H,9,11)
InChIKeyNYCBGDUPPBUSPC-UHFFFAOYSA-N
XLogP-1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-oxopiperidine-3-carbohydrazide?
The IUPAC name of 2-oxopiperidine-3-carbohydrazide (CID 2796435) is 2-oxopiperidine-3-carbohydrazide.
What is the SMILES notation for 2-oxopiperidine-3-carbohydrazide?
The canonical SMILES for 2-oxopiperidine-3-carbohydrazide is NNC(=O)C1CCCNC1=O.
What is the InChIKey of 2-oxopiperidine-3-carbohydrazide?
The InChIKey is NYCBGDUPPBUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c7-9-6(11)4-2-1-3-8-5(4)10/h4H,1-3,7H2,(H,8,10)(H,9,11).
What are the key properties of 2-oxopiperidine-3-carbohydrazide?
2-oxopiperidine-3-carbohydrazide has a molecular weight of 157.17 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopiperidine-3-carbohydrazide is sourced from PubChem (CID 2796435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).