2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone

C22H34N2O3 — CID 45227699

IUPAC2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C2CC23CCN(C(=O)CC2=CCCCC2)CC3)C[C@H](C)O1
InChIInChI=1S/C22H34N2O3/c1-16-14-24(15-17(2)27-16)21(26)19-13-22(19)8-10-23(11-9-22)20(25)12-18-6-4-3-5-7-18/h6,16-17,19H,3-5,7-15H2,1-2H3/t16-,17+,19?
InChIKeyWJNPVVSRLCFGDF-JJTKIYQPSA-N
MW374.53 g/mol
LogP3.14
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone

2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone (PubChem CID 45227699) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
PubChem CID45227699
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
SMILESC[C@@H]1CN(C(=O)C2CC23CCN(C(=O)CC2=CCCCC2)CC3)C[C@H](C)O1
InChIInChI=1S/C22H34N2O3/c1-16-14-24(15-17(2)27-16)21(26)19-13-22(19)8-10-23(11-9-22)20(25)12-18-6-4-3-5-7-18/h6,16-17,19H,3-5,7-15H2,1-2H3/t16-,17+,19?
InChIKeyWJNPVVSRLCFGDF-JJTKIYQPSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone (CID 45227699) is 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone is C[C@@H]1CN(C(=O)C2CC23CCN(C(=O)CC2=CCCCC2)CC3)C[C@H](C)O1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone?
The InChIKey is WJNPVVSRLCFGDF-JJTKIYQPSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16-14-24(15-17(2)27-16)21(26)19-13-22(19)8-10-23(11-9-22)20(25)12-18-6-4-3-5-7-18/h6,16-17,19H,3-5,7-15H2,1-2H3/t16-,17+,19?.
What are the key properties of 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone?
2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone has a molecular weight of 374.53 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone is sourced from PubChem (CID 45227699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).