[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone

C18H22ClNO2 — CID 164641166

IUPAC[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(C)CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)[C@H]2COC[C@H]21
InChIInChI=1S/C18H22ClNO2/c1-18(2)10-20(16-9-22-8-15(16)18)17(21)14-7-13(14)11-4-3-5-12(19)6-11/h3-6,13-16H,7-10H2,1-2H3/t13-,14+,15-,16+/m1/s1
InChIKeyKEUBKLWNXORMOZ-QXSJWSMHSA-N
MW319.83 g/mol
LogP3.33
Rot. Bonds2

About [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone

[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone (PubChem CID 164641166) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
PubChem CID164641166
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
SMILESCC1(C)CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)[C@H]2COC[C@H]21
InChIInChI=1S/C18H22ClNO2/c1-18(2)10-20(16-9-22-8-15(16)18)17(21)14-7-13(14)11-4-3-5-12(19)6-11/h3-6,13-16H,7-10H2,1-2H3/t13-,14+,15-,16+/m1/s1
InChIKeyKEUBKLWNXORMOZ-QXSJWSMHSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-(3-phenyl-1-bicyclo[1.1.1]pentanyl)methanone
CID 164642605
1-[(3aR)-3a-(morpholine-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(3-chlorophenyl)propan-1-one
CID 168452518
1-(1,3,3a,4,6,6a-Hexahydrofuro[3,4-c]pyrrol-5-yl)-2-(3-chlorophenyl)ethanone
CID 21518551
7-{[1-(4-Chlorophenyl)cyclopropyl]carbonyl}-4,4-dimethyl-1-oxa-7-azaspiro[4,4]nonane
CID 66662155
[1-(4-chlorophenyl)cyclopropyl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 150014959
2-(3-chlorophenyl)-N-cyclopropyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 49197078
2-(3-Chlorophenyl)-1-[(3aR,6aS)-tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl]ethan-1-one
CID 71444237
trans-(1R,2R)-2-(3-chlorophenyl)-N-cyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 95050934
cis-(1R,2S)-2-(3-chlorophenyl)-N-cyclopropyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 95382776
1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-(2-chlorophenyl)propan-1-one
CID 97369215
1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-(4-chlorophenyl)propan-1-one
CID 97369216
1-[(3aS,6aR)-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-3-(2-chlorophenyl)propan-1-one
CID 97420910

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
The IUPAC name of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone (CID 164641166) is [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone is CC1(C)CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)[C@H]2COC[C@H]21.
What is the InChIKey of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
The InChIKey is KEUBKLWNXORMOZ-QXSJWSMHSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-18(2)10-20(16-9-22-8-15(16)18)17(21)14-7-13(14)11-4-3-5-12(19)6-11/h3-6,13-16H,7-10H2,1-2H3/t13-,14+,15-,16+/m1/s1.
What are the key properties of [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone?
[(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone has a molecular weight of 319.83 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-3,3-dimethyl-3a,4,6,6a-tetrahydro-2H-furo[3,4-b]pyrrol-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 164641166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).