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

C16H20ClNO2 — CID 97369216

IUPAC1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-(4-chlorophenyl)propan-1-one
SMILESC[C@@H]1C[C@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@H]2O1
InChIInChI=1S/C16H20ClNO2/c1-11-8-13-9-18(10-15(13)20-11)16(19)7-4-12-2-5-14(17)6-3-12/h2-3,5-6,11,13,15H,4,7-10H2,1H3/t11-,13+,15-/m1/s1
InChIKeySIJJLWXXUALBSH-OSAQELSMSA-N
MW293.79 g/mol
LogP2.91
Rot. Bonds3

About 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

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 (PubChem CID 97369216) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-(4-chlorophenyl)propan-1-one
PubChem CID97369216
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name1-[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-3-(4-chlorophenyl)propan-1-one
SMILESC[C@@H]1C[C@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@H]2O1
InChIInChI=1S/C16H20ClNO2/c1-11-8-13-9-18(10-15(13)20-11)16(19)7-4-12-2-5-14(17)6-3-12/h2-3,5-6,11,13,15H,4,7-10H2,1H3/t11-,13+,15-/m1/s1
InChIKeySIJJLWXXUALBSH-OSAQELSMSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1C[C@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@H]2O1.
What is the InChIKey of 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?
The InChIKey is SIJJLWXXUALBSH-OSAQELSMSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-11-8-13-9-18(10-15(13)20-11)16(19)7-4-12-2-5-14(17)6-3-12/h2-3,5-6,11,13,15H,4,7-10H2,1H3/t11-,13+,15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 293.79 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97369216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).