1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one

C11H21NO2 — CID 156718646

IUPAC1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one
SMILESCC[C@H]1COCCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-4-10-7-12(5-6-14-8-10)11(13)9(2)3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyJTUYOMWFQNIMEP-SNVBAGLBSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

About 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one

1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one (PubChem CID 156718646) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one
PubChem CID156718646
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one
SMILESCC[C@H]1COCCN(C(=O)C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-4-10-7-12(5-6-14-8-10)11(13)9(2)3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyJTUYOMWFQNIMEP-SNVBAGLBSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 127300025
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
1-morpholin-4-yl-2-(oxan-3-ylmethylamino)propan-1-one
CID 54905983
1-[(3S,4R)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581968
1-[(3R,4S)-4-amino-3-ethylpiperidin-1-yl]-2-methylpropan-1-one
CID 96581965
1-[3-(ethylaminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one;molecular hydrogen
CID 144853356
2-methyl-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]propan-1-one
CID 139553521
1-(1'-hexylspiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl)-2-methylpropan-1-one
CID 162790424
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
1-(3-ethylpyrrolidin-1-yl)-2-methoxypropan-1-one
CID 115686899
2-methyl-1-[1'-(2-methylpropyl)spiro[1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine-6,3'-azetidine]-8-yl]propan-1-one
CID 162827915
2-methyl-1-(3-propan-2-ylmorpholin-4-yl)propan-1-one
CID 139553994

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one (CID 156718646) is 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one is CC[C@H]1COCCN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one?
The InChIKey is JTUYOMWFQNIMEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10-7-12(5-6-14-8-10)11(13)9(2)3/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one?
1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-ethyl-1,4-oxazepan-4-yl]-2-methylpropan-1-one is sourced from PubChem (CID 156718646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).