(6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane

C8H15NO2 — CID 89425412

IUPAC(6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane
SMILESCC1CN2CCO[C@H](CO1)C2
InChIInChI=1S/C8H15NO2/c1-7-4-9-2-3-10-8(5-9)6-11-7/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyUWPKKEYBQRJYMO-MQWKRIRWSA-N
MW157.21 g/mol
LogP0.11
Rot. Bonds

About (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane

(6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane (PubChem CID 89425412) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane.

Molecular Properties

Compound Name(6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane
PubChem CID89425412
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane
SMILESCC1CN2CCO[C@H](CO1)C2
InChIInChI=1S/C8H15NO2/c1-7-4-9-2-3-10-8(5-9)6-11-7/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyUWPKKEYBQRJYMO-MQWKRIRWSA-N
XLogP0.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane?
The IUPAC name of (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane (CID 89425412) is (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane.
What is the SMILES notation for (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane?
The canonical SMILES for (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane is CC1CN2CCO[C@H](CO1)C2.
What is the InChIKey of (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane?
The InChIKey is UWPKKEYBQRJYMO-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7-4-9-2-3-10-8(5-9)6-11-7/h7-8H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane?
(6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane has a molecular weight of 157.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-methyl-4,7-dioxa-1-azabicyclo[4.3.1]decane is sourced from PubChem (CID 89425412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).