2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone

C16H24N2O3 — CID 155879144

IUPAC2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C[C@H]1C[C@H]2CN(C(=O)C3CC3)C[C@H]2O1)N1CCCC1
InChIInChI=1S/C16H24N2O3/c19-15(17-5-1-2-6-17)8-13-7-12-9-18(10-14(12)21-13)16(20)11-3-4-11/h11-14H,1-10H2/t12-,13+,14+/m0/s1
InChIKeyFDRHIALLAWPTFO-BFHYXJOUSA-N
MW292.38 g/mol
LogP1.02
Rot. Bonds3

About 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone

2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 155879144) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID155879144
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C[C@H]1C[C@H]2CN(C(=O)C3CC3)C[C@H]2O1)N1CCCC1
InChIInChI=1S/C16H24N2O3/c19-15(17-5-1-2-6-17)8-13-7-12-9-18(10-14(12)21-13)16(20)11-3-4-11/h11-14H,1-10H2/t12-,13+,14+/m0/s1
InChIKeyFDRHIALLAWPTFO-BFHYXJOUSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[(2S,3aS,6aS)-5-(1-methylcyclohex-3-ene-1-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(azetidin-1-yl)ethanone
CID 131681931
2-[(2S,3aS,6aS)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(azetidin-1-yl)ethanone
CID 97484011
2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97478069
2-[(2S,3aR,6aR)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 124788033
cyclopropyl-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181337
2-(4-methylmorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 69087752
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
2-[3-(cyclopropanecarbonyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone
CID 155871416
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
CID 99705972
2-(4-iodomorpholin-2-yl)-1-pyrrolidin-1-ylethanone
CID 147849390

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone (CID 155879144) is 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone is O=C(C[C@H]1C[C@H]2CN(C(=O)C3CC3)C[C@H]2O1)N1CCCC1.
What is the InChIKey of 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is FDRHIALLAWPTFO-BFHYXJOUSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15(17-5-1-2-6-17)8-13-7-12-9-18(10-14(12)21-13)16(20)11-3-4-11/h11-14H,1-10H2/t12-,13+,14+/m0/s1.
What are the key properties of 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 292.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3aS,6aS)-5-(cyclopropanecarbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 155879144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).