7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

C14H18N2O2 — CID 14960474

IUPAC7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1NC2COCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N2O2/c17-14-12-7-16(6-11-4-2-1-3-5-11)8-13(15-14)10-18-9-12/h1-5,12-13H,6-10H2,(H,15,17)
InChIKeyPKQQLKQNHNSBEO-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.63
Rot. Bonds2

About 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 14960474) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID14960474
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
SMILESO=C1NC2COCC1CN(Cc1ccccc1)C2
InChIInChI=1S/C14H18N2O2/c17-14-12-7-16(6-11-4-2-1-3-5-11)8-13(15-14)10-18-9-12/h1-5,12-13H,6-10H2,(H,15,17)
InChIKeyPKQQLKQNHNSBEO-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one (CID 14960474) is 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is O=C1NC2COCC1CN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is PKQQLKQNHNSBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14-12-7-16(6-11-4-2-1-3-5-11)8-13(15-14)10-18-9-12/h1-5,12-13H,6-10H2,(H,15,17).
What are the key properties of 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one?
7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 246.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 14960474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).