trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol

C11H21NO2 — CID 102734689

IUPACtrans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol
SMILESCC1CN([C@H]2CCC[C@@H]2O)CCCO1
InChIInChI=1S/C11H21NO2/c1-9-8-12(6-3-7-14-9)10-4-2-5-11(10)13/h9-11,13H,2-8H2,1H3/t9?,10-,11-/m0/s1
InChIKeyVSIMBWFNELFVEM-DVRYWGNFSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds1

About trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol (PubChem CID 102734689) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol
PubChem CID102734689
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol
SMILESCC1CN([C@H]2CCC[C@@H]2O)CCCO1
InChIInChI=1S/C11H21NO2/c1-9-8-12(6-3-7-14-9)10-4-2-5-11(10)13/h9-11,13H,2-8H2,1H3/t9?,10-,11-/m0/s1
InChIKeyVSIMBWFNELFVEM-DVRYWGNFSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1,4-oxazepan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62972576
4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol
CID 62974563
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
trans-(1S,2S)-2-(3,4-dimethylpiperidin-1-yl)cyclohexan-1-ol
CID 102732321
2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-ol
CID 79564550
2-[3-(methylaminomethyl)piperidin-1-yl]cyclopentan-1-ol
CID 61203694
4-tert-butyl-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexane-1-carboxylic acid
CID 63073557

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol (CID 102734689) is trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol is CC1CN([C@H]2CCC[C@@H]2O)CCCO1.
What is the InChIKey of trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol?
The InChIKey is VSIMBWFNELFVEM-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-8-12(6-3-7-14-9)10-4-2-5-11(10)13/h9-11,13H,2-8H2,1H3/t9?,10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).