[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C19H26N2O2 — CID 98346719

IUPAC[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@@H]2CC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc31)CC2
InChIInChI=1S/C19H26N2O2/c1-13(2)21-14-7-8-15(21)11-20(10-9-14)19(22)17-12-23-18-6-4-3-5-16(17)18/h3-6,13-15,17H,7-12H2,1-2H3/t14-,15-,17-/m1/s1
InChIKeySDRGMRVIKCNEBW-BFYDXBDKSA-N
MW314.43 g/mol
LogP2.64
Rot. Bonds2

About [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 98346719) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID98346719
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCC(C)N1[C@@H]2CC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc31)CC2
InChIInChI=1S/C19H26N2O2/c1-13(2)21-14-7-8-15(21)11-20(10-9-14)19(22)17-12-23-18-6-4-3-5-16(17)18/h3-6,13-15,17H,7-12H2,1-2H3/t14-,15-,17-/m1/s1
InChIKeySDRGMRVIKCNEBW-BFYDXBDKSA-N
XLogP2.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone with MolForge

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124512887
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 136525380
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
2,3-dihydro-1-benzofuran-3-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304370
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511664
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680981
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
5-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154857998
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 102938360
2,3-dihydro-1-benzofuran-3-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128968193

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 98346719) is [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is CC(C)N1[C@@H]2CC[C@@H]1CN(C(=O)[C@@H]1COc3ccccc31)CC2.
What is the InChIKey of [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is SDRGMRVIKCNEBW-BFYDXBDKSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)21-14-7-8-15(21)11-20(10-9-14)19(22)17-12-23-18-6-4-3-5-16(17)18/h3-6,13-15,17H,7-12H2,1-2H3/t14-,15-,17-/m1/s1.
What are the key properties of [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 98346719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).