2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone

C14H25N3O2 — CID 102682988

IUPAC2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2C[C@@H]3CCCN[C@@H]3C2)CCO1
InChIInChI=1S/C14H25N3O2/c1-11-7-17(5-6-19-11)14(18)10-16-8-12-3-2-4-15-13(12)9-16/h11-13,15H,2-10H2,1H3/t11?,12-,13+/m0/s1
InChIKeyLNZOZGOZJURSIE-LWNNLKQOSA-N
MW267.37 g/mol
LogP-0.08
Rot. Bonds2

About 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone

2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 102682988) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID102682988
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2C[C@@H]3CCCN[C@@H]3C2)CCO1
InChIInChI=1S/C14H25N3O2/c1-11-7-17(5-6-19-11)14(18)10-16-8-12-3-2-4-15-13(12)9-16/h11-13,15H,2-10H2,1H3/t11?,12-,13+/m0/s1
InChIKeyLNZOZGOZJURSIE-LWNNLKQOSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 102682426
1-(2-methylmorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119698735
1-morpholin-4-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 60978297
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)acetic acid
CID 102682014
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N,N-dimethylacetamide
CID 102682474
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 103576869
1-(2-methyl-1,4-oxazepan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771971
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-1-morpholin-4-ylbutan-1-one
CID 102682178
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 102682988) is 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2C[C@@H]3CCCN[C@@H]3C2)CCO1.
What is the InChIKey of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is LNZOZGOZJURSIE-LWNNLKQOSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-7-17(5-6-19-11)14(18)10-16-8-12-3-2-4-15-13(12)9-16/h11-13,15H,2-10H2,1H3/t11?,12-,13+/m0/s1.
What are the key properties of 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 267.37 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 102682988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).