8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

C16H19NO2 — CID 62738570

IUPAC8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CC1Cc2ccccc2O1
InChIInChI=1S/C16H19NO2/c18-14-8-12-5-6-13(9-14)17(12)10-15-7-11-3-1-2-4-16(11)19-15/h1-4,12-13,15H,5-10H2
InChIKeyZZDLUMDKKFKKSW-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.19
Rot. Bonds2

About 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one

8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62738570) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62738570
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2CC1Cc2ccccc2O1
InChIInChI=1S/C16H19NO2/c18-14-8-12-5-6-13(9-14)17(12)10-15-7-11-3-1-2-4-16(11)19-15/h1-4,12-13,15H,5-10H2
InChIKeyZZDLUMDKKFKKSW-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-3-one
CID 62233014
4-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-2,6-dione
CID 63777403
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)indole-2,3-dione
CID 66363787
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
3-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidin-4-one
CID 99610232
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azetidine-3-carboxylic acid
CID 66364000
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]acetic acid
CID 66364780
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrole-2-carboxylic acid
CID 62234275

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one (CID 62738570) is 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2CC1Cc2ccccc2O1.
What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is ZZDLUMDKKFKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-14-8-12-5-6-13(9-14)17(12)10-15-7-11-3-1-2-4-16(11)19-15/h1-4,12-13,15H,5-10H2.
What are the key properties of 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one?
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 257.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62738570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).