[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

C20H30N2O3 — CID 26347465

IUPAC[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)C2=CCCC2)CC3)C[C@H](C)O1
InChIInChI=1S/C20H30N2O3/c1-14-12-22(13-15(2)25-14)19(24)17-11-20(17)7-9-21(10-8-20)18(23)16-5-3-4-6-16/h5,14-15,17H,3-4,6-13H2,1-2H3/t14-,15+,17-/m1/s1
InChIKeyKJWGWOBWXRUZRU-HLLBOEOZSA-N
MW346.47 g/mol
LogP2.36
Rot. Bonds2

About [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone

[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 26347465) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID26347465
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)C2=CCCC2)CC3)C[C@H](C)O1
InChIInChI=1S/C20H30N2O3/c1-14-12-22(13-15(2)25-14)19(24)17-11-20(17)7-9-21(10-8-20)18(23)16-5-3-4-6-16/h5,14-15,17H,3-4,6-13H2,1-2H3/t14-,15+,17-/m1/s1
InChIKeyKJWGWOBWXRUZRU-HLLBOEOZSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 26347465) is [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)[C@H]2CC23CCN(C(=O)C2=CCCC2)CC3)C[C@H](C)O1.
What is the InChIKey of [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KJWGWOBWXRUZRU-HLLBOEOZSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-12-22(13-15(2)25-14)19(24)17-11-20(17)7-9-21(10-8-20)18(23)16-5-3-4-6-16/h5,14-15,17H,3-4,6-13H2,1-2H3/t14-,15+,17-/m1/s1.
What are the key properties of [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 26347465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).