4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one

C10H20N2O2 — CID 104554159

IUPAC4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one
SMILESCC(CO)N(C)C1CCCNC(=O)C1
InChIInChI=1S/C10H20N2O2/c1-8(7-13)12(2)9-4-3-5-11-10(14)6-9/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyRKRZCLORYDJTDD-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds3

About 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one

4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one (PubChem CID 104554159) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one
PubChem CID104554159
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one
SMILESCC(CO)N(C)C1CCCNC(=O)C1
InChIInChI=1S/C10H20N2O2/c1-8(7-13)12(2)9-4-3-5-11-10(14)6-9/h8-9,13H,3-7H2,1-2H3,(H,11,14)
InChIKeyRKRZCLORYDJTDD-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one?
The IUPAC name of 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one (CID 104554159) is 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one.
What is the SMILES notation for 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one?
The canonical SMILES for 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one is CC(CO)N(C)C1CCCNC(=O)C1.
What is the InChIKey of 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one?
The InChIKey is RKRZCLORYDJTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(7-13)12(2)9-4-3-5-11-10(14)6-9/h8-9,13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one?
4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxypropan-2-yl(methyl)amino]azepan-2-one is sourced from PubChem (CID 104554159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).