5-methyl-3-azabicyclo[5.2.1]decan-10-one

C10H17NO — CID 143710984

IUPAC5-methyl-3-azabicyclo[5.2.1]decan-10-one
SMILESCC1CNCC2CCC(C1)C2=O
InChIInChI=1S/C10H17NO/c1-7-4-8-2-3-9(10(8)12)6-11-5-7/h7-9,11H,2-6H2,1H3
InChIKeyCPGVPTQBXQKYMO-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.21
Rot. Bonds

About 5-methyl-3-azabicyclo[5.2.1]decan-10-one

5-methyl-3-azabicyclo[5.2.1]decan-10-one (PubChem CID 143710984) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-methyl-3-azabicyclo[5.2.1]decan-10-one.

Molecular Properties

Compound Name5-methyl-3-azabicyclo[5.2.1]decan-10-one
PubChem CID143710984
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-methyl-3-azabicyclo[5.2.1]decan-10-one
SMILESCC1CNCC2CCC(C1)C2=O
InChIInChI=1S/C10H17NO/c1-7-4-8-2-3-9(10(8)12)6-11-5-7/h7-9,11H,2-6H2,1H3
InChIKeyCPGVPTQBXQKYMO-UHFFFAOYSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-azabicyclo[5.2.1]decan-10-one?
The IUPAC name of 5-methyl-3-azabicyclo[5.2.1]decan-10-one (CID 143710984) is 5-methyl-3-azabicyclo[5.2.1]decan-10-one.
What is the SMILES notation for 5-methyl-3-azabicyclo[5.2.1]decan-10-one?
The canonical SMILES for 5-methyl-3-azabicyclo[5.2.1]decan-10-one is CC1CNCC2CCC(C1)C2=O.
What is the InChIKey of 5-methyl-3-azabicyclo[5.2.1]decan-10-one?
The InChIKey is CPGVPTQBXQKYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-4-8-2-3-9(10(8)12)6-11-5-7/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-methyl-3-azabicyclo[5.2.1]decan-10-one?
5-methyl-3-azabicyclo[5.2.1]decan-10-one has a molecular weight of 167.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-azabicyclo[5.2.1]decan-10-one is sourced from PubChem (CID 143710984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).