[(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone

C14H22N2O2 — CID 59403332

IUPAC[(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)C1=C[C@@H]2CNC[C@@H]2C1
InChIInChI=1S/C14H22N2O2/c1-9-7-18-8-10(2)16(9)14(17)11-3-12-5-15-6-13(12)4-11/h3,9-10,12-13,15H,4-8H2,1-2H3/t9?,10?,12-,13+/m1/s1
InChIKeyZGXQCQICQDGNIO-UHGWMABZSA-N
MW250.34 g/mol
LogP0.79
Rot. Bonds1

About [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone

[(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 59403332) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone
PubChem CID59403332
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)C1=C[C@@H]2CNC[C@@H]2C1
InChIInChI=1S/C14H22N2O2/c1-9-7-18-8-10(2)16(9)14(17)11-3-12-5-15-6-13(12)4-11/h3,9-10,12-13,15H,4-8H2,1-2H3/t9?,10?,12-,13+/m1/s1
InChIKeyZGXQCQICQDGNIO-UHGWMABZSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone (CID 59403332) is [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone is CC1COCC(C)N1C(=O)C1=C[C@@H]2CNC[C@@H]2C1.
What is the InChIKey of [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZGXQCQICQDGNIO-UHGWMABZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-18-8-10(2)16(9)14(17)11-3-12-5-15-6-13(12)4-11/h3,9-10,12-13,15H,4-8H2,1-2H3/t9?,10?,12-,13+/m1/s1.
What are the key properties of [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
[(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 59403332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).