2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone

C15H23N3O2 — CID 83214719

IUPAC2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone
SMILESCNC1CCCc2cn(CC(=O)N3CCOCC3)cc21
InChIInChI=1S/C15H23N3O2/c1-16-14-4-2-3-12-9-17(10-13(12)14)11-15(19)18-5-7-20-8-6-18/h9-10,14,16H,2-8,11H2,1H3
InChIKeyRZXAMQQHYXYNFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds3

About 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone

2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 83214719) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone
PubChem CID83214719
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone
SMILESCNC1CCCc2cn(CC(=O)N3CCOCC3)cc21
InChIInChI=1S/C15H23N3O2/c1-16-14-4-2-3-12-9-17(10-13(12)14)11-15(19)18-5-7-20-8-6-18/h9-10,14,16H,2-8,11H2,1H3
InChIKeyRZXAMQQHYXYNFQ-UHFFFAOYSA-N
XLogP0.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone (CID 83214719) is 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone is CNC1CCCc2cn(CC(=O)N3CCOCC3)cc21.
What is the InChIKey of 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is RZXAMQQHYXYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16-14-4-2-3-12-9-17(10-13(12)14)11-15(19)18-5-7-20-8-6-18/h9-10,14,16H,2-8,11H2,1H3.
What are the key properties of 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone?
2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 277.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-4,5,6,7-tetrahydroisoindol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 83214719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).