2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide

C12H22N2O3 — CID 124547972

IUPAC2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CC[C@H]2NCC[C@H]2O1
InChIInChI=1S/C12H22N2O3/c1-14(2)12(15)8-16-7-9-3-4-10-11(17-9)5-6-13-10/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyXPPYBNRAZHKGSH-HBNTYKKESA-N
MW242.32 g/mol
LogP0.00
Rot. Bonds4

About 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide

2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 124547972) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
PubChem CID124547972
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@@H]1CC[C@H]2NCC[C@H]2O1
InChIInChI=1S/C12H22N2O3/c1-14(2)12(15)8-16-7-9-3-4-10-11(17-9)5-6-13-10/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyXPPYBNRAZHKGSH-HBNTYKKESA-N
XLogP0.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[[(3aR,5R,7aR)-1-(cyclopropylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97379145
(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 124547983
2-[[(3aR,5R,7aR)-1-(oxan-4-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97379146
2-[[(3aS,5R,7aS)-1-(1,3-thiazol-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97387200
2-[[(3aS,5R,7aS)-1-(1,3-thiazol-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155862413
2-[(2R)-azetidin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 118994739
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
2-[[(3aS,5S,7aS)-1-pyridin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127022591
2-[[(3aR,5R,7aR)-1-[(4-methoxyphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155828578
2-[[(3aS,5R,7aS)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155865502
N,N-dimethyl-2-trimethylsilyloxyacetamide
CID 102264799
(2R,3aR,6aR)-N-(cyclopropylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrole-2-carboxamide;hydrochloride
CID 134069684

Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide (CID 124547972) is 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@@H]1CC[C@H]2NCC[C@H]2O1.
What is the InChIKey of 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is XPPYBNRAZHKGSH-HBNTYKKESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-14(2)12(15)8-16-7-9-3-4-10-11(17-9)5-6-13-10/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+/m0/s1.
What are the key properties of 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide?
2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 242.32 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,5S,7aR)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 124547972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).