(6S)-1,4-diazabicyclo[4.3.1]decan-2-one

C8H14N2O — CID 55268058

IUPAC(6S)-1,4-diazabicyclo[4.3.1]decan-2-one
SMILESO=C1CNC[C@@H]2CCCN1C2
InChIInChI=1S/C8H14N2O/c11-8-5-9-4-7-2-1-3-10(8)6-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyHNPSMBCDYXUULM-ZETCQYMHSA-N
MW154.21 g/mol
LogP-0.17
Rot. Bonds

About (6S)-1,4-diazabicyclo[4.3.1]decan-2-one

(6S)-1,4-diazabicyclo[4.3.1]decan-2-one (PubChem CID 55268058) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (6S)-1,4-diazabicyclo[4.3.1]decan-2-one.

Molecular Properties

Compound Name(6S)-1,4-diazabicyclo[4.3.1]decan-2-one
PubChem CID55268058
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(6S)-1,4-diazabicyclo[4.3.1]decan-2-one
SMILESO=C1CNC[C@@H]2CCCN1C2
InChIInChI=1S/C8H14N2O/c11-8-5-9-4-7-2-1-3-10(8)6-7/h7,9H,1-6H2/t7-/m0/s1
InChIKeyHNPSMBCDYXUULM-ZETCQYMHSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6S)-1,4-diazabicyclo[4.3.1]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-1,4-diazabicyclo[4.3.1]decan-2-one?
The IUPAC name of (6S)-1,4-diazabicyclo[4.3.1]decan-2-one (CID 55268058) is (6S)-1,4-diazabicyclo[4.3.1]decan-2-one.
What is the SMILES notation for (6S)-1,4-diazabicyclo[4.3.1]decan-2-one?
The canonical SMILES for (6S)-1,4-diazabicyclo[4.3.1]decan-2-one is O=C1CNC[C@@H]2CCCN1C2.
What is the InChIKey of (6S)-1,4-diazabicyclo[4.3.1]decan-2-one?
The InChIKey is HNPSMBCDYXUULM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O/c11-8-5-9-4-7-2-1-3-10(8)6-7/h7,9H,1-6H2/t7-/m0/s1.
What are the key properties of (6S)-1,4-diazabicyclo[4.3.1]decan-2-one?
(6S)-1,4-diazabicyclo[4.3.1]decan-2-one has a molecular weight of 154.21 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,4-diazabicyclo[4.3.1]decan-2-one is sourced from PubChem (CID 55268058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).