3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one

C10H20N2O2 — CID 43416486

IUPAC3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
SMILESCC(C)(CO)NC1CCCCNC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,7-13)12-8-5-3-4-6-11-9(8)14/h8,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyABJMMYVKVUONEG-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.02
Rot. Bonds3

About 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one

3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one (PubChem CID 43416486) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
PubChem CID43416486
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one
SMILESCC(C)(CO)NC1CCCCNC1=O
InChIInChI=1S/C10H20N2O2/c1-10(2,7-13)12-8-5-3-4-6-11-9(8)14/h8,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyABJMMYVKVUONEG-UHFFFAOYSA-N
XLogP0.02
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one?
The IUPAC name of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one (CID 43416486) is 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one.
What is the SMILES notation for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one?
The canonical SMILES for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one is CC(C)(CO)NC1CCCCNC1=O.
What is the InChIKey of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one?
The InChIKey is ABJMMYVKVUONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,7-13)12-8-5-3-4-6-11-9(8)14/h8,12-13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one?
3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-2-methylpropan-2-yl)amino]azepan-2-one is sourced from PubChem (CID 43416486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).