(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one

C8H13NO — CID 129413421

IUPAC(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESC[C@]12CCC[C@H](C1)C(=O)N2
InChIInChI=1S/C8H13NO/c1-8-4-2-3-6(5-8)7(10)9-8/h6H,2-5H2,1H3,(H,9,10)/t6-,8+/m1/s1
InChIKeySQWBHNVPQKUOFM-SVRRBLITSA-N
MW139.20 g/mol
LogP1.07
Rot. Bonds

About (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one

(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 129413421) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
PubChem CID129413421
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESC[C@]12CCC[C@H](C1)C(=O)N2
InChIInChI=1S/C8H13NO/c1-8-4-2-3-6(5-8)7(10)9-8/h6H,2-5H2,1H3,(H,9,10)/t6-,8+/m1/s1
InChIKeySQWBHNVPQKUOFM-SVRRBLITSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one (CID 129413421) is (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one is C[C@]12CCC[C@H](C1)C(=O)N2.
What is the InChIKey of (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is SQWBHNVPQKUOFM-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13NO/c1-8-4-2-3-6(5-8)7(10)9-8/h6H,2-5H2,1H3,(H,9,10)/t6-,8+/m1/s1.
What are the key properties of (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 139.20 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 129413421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).