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

C11H21NO2 — CID 107406005

IUPAC1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)10(13)12-7-4-5-11(3,14)6-8-12/h9,14H,4-8H2,1-3H3
InChIKeySNWXDHRQMPHNNK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds1

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

1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one (PubChem CID 107406005) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
PubChem CID107406005
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H21NO2/c1-9(2)10(13)12-7-4-5-11(3,14)6-8-12/h9,14H,4-8H2,1-3H3
InChIKeySNWXDHRQMPHNNK-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one (CID 107406005) is 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
The InChIKey is SNWXDHRQMPHNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)10(13)12-7-4-5-11(3,14)6-8-12/h9,14H,4-8H2,1-3H3.
What are the key properties of 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one?
1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 107406005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).