(6S)-1,7-diazabicyclo[4.3.1]decan-9-one

C8H14N2O — CID 155155593

IUPAC(6S)-1,7-diazabicyclo[4.3.1]decan-9-one
SMILESO=C1CN[C@H]2CCCCN1C2
InChIInChI=1S/C8H14N2O/c11-8-5-9-7-3-1-2-4-10(8)6-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyRTAANLQVKYPIFJ-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.03
Rot. Bonds

About (6S)-1,7-diazabicyclo[4.3.1]decan-9-one

(6S)-1,7-diazabicyclo[4.3.1]decan-9-one (PubChem CID 155155593) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (6S)-1,7-diazabicyclo[4.3.1]decan-9-one.

Molecular Properties

Compound Name(6S)-1,7-diazabicyclo[4.3.1]decan-9-one
PubChem CID155155593
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(6S)-1,7-diazabicyclo[4.3.1]decan-9-one
SMILESO=C1CN[C@H]2CCCCN1C2
InChIInChI=1S/C8H14N2O/c11-8-5-9-7-3-1-2-4-10(8)6-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyRTAANLQVKYPIFJ-ZETCQYMHSA-N
XLogP-0.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-1,7-diazabicyclo[4.3.1]decan-9-one?
The IUPAC name of (6S)-1,7-diazabicyclo[4.3.1]decan-9-one (CID 155155593) is (6S)-1,7-diazabicyclo[4.3.1]decan-9-one.
What is the SMILES notation for (6S)-1,7-diazabicyclo[4.3.1]decan-9-one?
The canonical SMILES for (6S)-1,7-diazabicyclo[4.3.1]decan-9-one is O=C1CN[C@H]2CCCCN1C2.
What is the InChIKey of (6S)-1,7-diazabicyclo[4.3.1]decan-9-one?
The InChIKey is RTAANLQVKYPIFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-5-9-7-3-1-2-4-10(8)6-7/h7,9H,1-6H2/t7-/m0/s1.
What are the key properties of (6S)-1,7-diazabicyclo[4.3.1]decan-9-one?
(6S)-1,7-diazabicyclo[4.3.1]decan-9-one has a molecular weight of 154.21 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,7-diazabicyclo[4.3.1]decan-9-one is sourced from PubChem (CID 155155593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).