2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one

C11H21NO3 — CID 107404894

IUPAC2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
SMILESCC1(O)CCCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,14)9(13)12-7-4-5-11(3,15)6-8-12/h14-15H,4-8H2,1-3H3
InChIKeyMPFCTWQUDLCKGT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.52
Rot. Bonds1

About 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one

2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one (PubChem CID 107404894) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
PubChem CID107404894
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
SMILESCC1(O)CCCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,14)9(13)12-7-4-5-11(3,15)6-8-12/h14-15H,4-8H2,1-3H3
InChIKeyMPFCTWQUDLCKGT-UHFFFAOYSA-N
XLogP0.52
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one (CID 107404894) is 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one is CC1(O)CCCN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The InChIKey is MPFCTWQUDLCKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,14)9(13)12-7-4-5-11(3,15)6-8-12/h14-15H,4-8H2,1-3H3.
What are the key properties of 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107404894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).