3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one

C8H14N2O2 — CID 70169107

IUPAC3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESCN1CC2COCC(CC1=O)N2
InChIInChI=1S/C8H14N2O2/c1-10-3-7-5-12-4-6(9-7)2-8(10)11/h6-7,9H,2-5H2,1H3
InChIKeyNFNFSCALJQDTJN-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.79
Rot. Bonds

About 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one

3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one (PubChem CID 70169107) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one.

Molecular Properties

Compound Name3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
PubChem CID70169107
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESCN1CC2COCC(CC1=O)N2
InChIInChI=1S/C8H14N2O2/c1-10-3-7-5-12-4-6(9-7)2-8(10)11/h6-7,9H,2-5H2,1H3
InChIKeyNFNFSCALJQDTJN-UHFFFAOYSA-N
XLogP-0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
The IUPAC name of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one (CID 70169107) is 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one.
What is the SMILES notation for 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
The canonical SMILES for 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one is CN1CC2COCC(CC1=O)N2.
What is the InChIKey of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
The InChIKey is NFNFSCALJQDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10-3-7-5-12-4-6(9-7)2-8(10)11/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one?
3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one has a molecular weight of 170.21 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one is sourced from PubChem (CID 70169107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).