3-hydrazinylazepan-2-one

C6H13N3O — CID 43185832

IUPAC3-hydrazinylazepan-2-one
SMILESNNC1CCCCNC1=O
InChIInChI=1S/C6H13N3O/c7-9-5-3-1-2-4-8-6(5)10/h5,9H,1-4,7H2,(H,8,10)
InChIKeyDXCZHDBQSGWTHN-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.88
Rot. Bonds1

About 3-hydrazinylazepan-2-one

3-hydrazinylazepan-2-one (PubChem CID 43185832) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-hydrazinylazepan-2-one.

Molecular Properties

Compound Name3-hydrazinylazepan-2-one
PubChem CID43185832
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-hydrazinylazepan-2-one
SMILESNNC1CCCCNC1=O
InChIInChI=1S/C6H13N3O/c7-9-5-3-1-2-4-8-6(5)10/h5,9H,1-4,7H2,(H,8,10)
InChIKeyDXCZHDBQSGWTHN-UHFFFAOYSA-N
XLogP-0.88
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 3-hydrazinylazepan-2-one?
The IUPAC name of 3-hydrazinylazepan-2-one (CID 43185832) is 3-hydrazinylazepan-2-one.
What is the SMILES notation for 3-hydrazinylazepan-2-one?
The canonical SMILES for 3-hydrazinylazepan-2-one is NNC1CCCCNC1=O.
What is the InChIKey of 3-hydrazinylazepan-2-one?
The InChIKey is DXCZHDBQSGWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-9-5-3-1-2-4-8-6(5)10/h5,9H,1-4,7H2,(H,8,10).
What are the key properties of 3-hydrazinylazepan-2-one?
3-hydrazinylazepan-2-one has a molecular weight of 143.19 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylazepan-2-one is sourced from PubChem (CID 43185832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).