ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone

C11H23NO2 — CID 164549008

IUPACethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC.CC(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C9H17NO2.C2H6/c1-8(11)10-6-3-4-9(2,12)5-7-10;1-2/h12H,3-7H2,1-2H3;1-2H3
InChIKeyKAZJNLOTMWINCQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.80
Rot. Bonds

About ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone

ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone (PubChem CID 164549008) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone
PubChem CID164549008
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone
SMILESCC.CC(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C9H17NO2.C2H6/c1-8(11)10-6-3-4-9(2,12)5-7-10;1-2/h12H,3-7H2,1-2H3;1-2H3
InChIKeyKAZJNLOTMWINCQ-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The IUPAC name of ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone (CID 164549008) is ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone is CC.CC(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
The InChIKey is KAZJNLOTMWINCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-8(11)10-6-3-4-9(2,12)5-7-10;1-2/h12H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone?
ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone has a molecular weight of 201.31 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-hydroxy-4-methylazepan-1-yl)ethanone is sourced from PubChem (CID 164549008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).