3-(2,2-dimethylhydrazinyl)azepan-2-one

C8H17N3O — CID 83014560

IUPAC3-(2,2-dimethylhydrazinyl)azepan-2-one
SMILESCN(C)NC1CCCCNC1=O
InChIInChI=1S/C8H17N3O/c1-11(2)10-7-5-3-4-6-9-8(7)12/h7,10H,3-6H2,1-2H3,(H,9,12)
InChIKeyZFZUUXVUIYWJCR-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.28
Rot. Bonds2

About 3-(2,2-dimethylhydrazinyl)azepan-2-one

3-(2,2-dimethylhydrazinyl)azepan-2-one (PubChem CID 83014560) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2,2-dimethylhydrazinyl)azepan-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylhydrazinyl)azepan-2-one
PubChem CID83014560
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-(2,2-dimethylhydrazinyl)azepan-2-one
SMILESCN(C)NC1CCCCNC1=O
InChIInChI=1S/C8H17N3O/c1-11(2)10-7-5-3-4-6-9-8(7)12/h7,10H,3-6H2,1-2H3,(H,9,12)
InChIKeyZFZUUXVUIYWJCR-UHFFFAOYSA-N
XLogP-0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentyloxyamino)azepan-2-one
CID 83229807
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
CID 94061079
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-[(1-methylazetidin-3-yl)amino]azepan-2-one
CID 127013470
3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
CID 43416486
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473
3-(2-ethylbutylamino)azepan-2-one
CID 43688006
3-[(3-methyl-2-propan-2-ylbutyl)amino]azepan-2-one
CID 102905290
3-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]azepan-2-one
CID 107865414
3-(but-3-yn-2-ylamino)azepan-2-one
CID 114416732
3-(cyclobutylmethylamino)azepan-2-one
CID 43275345

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylhydrazinyl)azepan-2-one?
The IUPAC name of 3-(2,2-dimethylhydrazinyl)azepan-2-one (CID 83014560) is 3-(2,2-dimethylhydrazinyl)azepan-2-one.
What is the SMILES notation for 3-(2,2-dimethylhydrazinyl)azepan-2-one?
The canonical SMILES for 3-(2,2-dimethylhydrazinyl)azepan-2-one is CN(C)NC1CCCCNC1=O.
What is the InChIKey of 3-(2,2-dimethylhydrazinyl)azepan-2-one?
The InChIKey is ZFZUUXVUIYWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-11(2)10-7-5-3-4-6-9-8(7)12/h7,10H,3-6H2,1-2H3,(H,9,12).
What are the key properties of 3-(2,2-dimethylhydrazinyl)azepan-2-one?
3-(2,2-dimethylhydrazinyl)azepan-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylhydrazinyl)azepan-2-one is sourced from PubChem (CID 83014560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).