[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone

C13H18N2O2 — CID 133139984

IUPAC[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESC[C@H]1C[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2O1
InChIInChI=1S/C13H18N2O2/c1-9-6-10-7-15(8-12(10)17-9)13(16)11-4-3-5-14(11)2/h3-5,9-10,12H,6-8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyMDFMHUPNUHEEIY-UMNHJUIQSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds1

About [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone

[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 133139984) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID133139984
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
SMILESC[C@H]1C[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2O1
InChIInChI=1S/C13H18N2O2/c1-9-6-10-7-15(8-12(10)17-9)13(16)11-4-3-5-14(11)2/h3-5,9-10,12H,6-8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyMDFMHUPNUHEEIY-UMNHJUIQSA-N
XLogP1.27
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

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Related Compounds

[(3aR,6aS)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 110134847
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(1-methylpyrrol-2-yl)methanone
CID 102680206
[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 97369190
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 97392553
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
[(2S,3aS,6aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021417
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119580519
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylindol-5-yl)methanone
CID 131690274
[(1R,5S)-7-(4-methylphenyl)sulfonyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(1-methylpyrrol-2-yl)methanone
CID 95100527
3-[(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carbonyl]-1-methylpyridin-2-one
CID 131687468

Frequently Asked Questions

What is the IUPAC name of [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone (CID 133139984) is [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone is C[C@H]1C[C@@H]2CN(C(=O)c3cccn3C)C[C@@H]2O1.
What is the InChIKey of [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is MDFMHUPNUHEEIY-UMNHJUIQSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-10-7-15(8-12(10)17-9)13(16)11-4-3-5-14(11)2/h3-5,9-10,12H,6-8H2,1-2H3/t9-,10+,12-/m0/s1.
What are the key properties of [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone?
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 133139984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).