azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H22N2O2 — CID 107217930

IUPACazepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCCN1)N1CCC[C@@H]1CO
InChIInChI=1S/C12H22N2O2/c15-9-10-5-4-8-14(10)12(16)11-6-2-1-3-7-13-11/h10-11,13,15H,1-9H2/t10-,11?/m1/s1
InChIKeyOMFNPVWEMBGMGD-NFJWQWPMSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds2

About azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 107217930) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID107217930
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameazepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCCN1)N1CCC[C@@H]1CO
InChIInChI=1S/C12H22N2O2/c15-9-10-5-4-8-14(10)12(16)11-6-2-1-3-7-13-11/h10-11,13,15H,1-9H2/t10-,11?/m1/s1
InChIKeyOMFNPVWEMBGMGD-NFJWQWPMSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
CID 63103994
[2-(2-hydroxyethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 61149225
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
piperidin-2-yl-(2-propylpiperidin-1-yl)methanone
CID 83053071
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 107217930) is azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CCCCCN1)N1CCC[C@@H]1CO.
What is the InChIKey of azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OMFNPVWEMBGMGD-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-9-10-5-4-8-14(10)12(16)11-6-2-1-3-7-13-11/h10-11,13,15H,1-9H2/t10-,11?/m1/s1.
What are the key properties of azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107217930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).