(4R,6R)-4,6-dimethylazepan-2-one

C8H15NO — CID 12689794

IUPAC(4R,6R)-4,6-dimethylazepan-2-one
SMILESC[C@H]1CNC(=O)C[C@H](C)C1
InChIInChI=1S/C8H15NO/c1-6-3-7(2)5-9-8(10)4-6/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyHWTDNNYOAGWISL-RNFRBKRXSA-N
MW141.21 g/mol
LogP1.17
Rot. Bonds

About (4R,6R)-4,6-dimethylazepan-2-one

(4R,6R)-4,6-dimethylazepan-2-one (PubChem CID 12689794) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4R,6R)-4,6-dimethylazepan-2-one.

Molecular Properties

Compound Name(4R,6R)-4,6-dimethylazepan-2-one
PubChem CID12689794
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4R,6R)-4,6-dimethylazepan-2-one
SMILESC[C@H]1CNC(=O)C[C@H](C)C1
InChIInChI=1S/C8H15NO/c1-6-3-7(2)5-9-8(10)4-6/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyHWTDNNYOAGWISL-RNFRBKRXSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(aziridin-2-one);bis(4,6-dimethylazepan-2-one)
CID 158411276
CID 66603050
CID 66603050
ethane;4-methylpyrrolidin-2-one;oxane
CID 170582755
5-methylpiperidin-2-one
CID 10877083
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
(4S)-6-iodo-4-methylpiperidin-2-one
CID 170011470
(2R)-2,7-dimethyl-1,4-diazepan-5-one
CID 55300700
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864
(4R)-4-methylazepan-2-one
CID 12689799
(4S,6R)-6-ethyl-4-methylpiperidin-2-one
CID 129374994
acetic acid;4-hydroxypyrrolidin-2-one
CID 67821744
4-methylpiperidin-2-one;propane
CID 142565813

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-dimethylazepan-2-one?
The IUPAC name of (4R,6R)-4,6-dimethylazepan-2-one (CID 12689794) is (4R,6R)-4,6-dimethylazepan-2-one.
What is the SMILES notation for (4R,6R)-4,6-dimethylazepan-2-one?
The canonical SMILES for (4R,6R)-4,6-dimethylazepan-2-one is C[C@H]1CNC(=O)C[C@H](C)C1.
What is the InChIKey of (4R,6R)-4,6-dimethylazepan-2-one?
The InChIKey is HWTDNNYOAGWISL-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-7(2)5-9-8(10)4-6/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of (4R,6R)-4,6-dimethylazepan-2-one?
(4R,6R)-4,6-dimethylazepan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-dimethylazepan-2-one is sourced from PubChem (CID 12689794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).