3,7-diazabicyclo[4.2.0]octane

C6H12N2 — CID 23282823

IUPAC3,7-diazabicyclo[4.2.0]octane
SMILESC1CC2NCC2CN1
InChIInChI=1S/C6H12N2/c1-2-7-3-5-4-8-6(1)5/h5-8H,1-4H2
InChIKeyZWRBRSHGODNMOB-UHFFFAOYSA-N
MW112.18 g/mol
LogP-0.43
Rot. Bonds

About 3,7-diazabicyclo[4.2.0]octane

3,7-diazabicyclo[4.2.0]octane (PubChem CID 23282823) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 3,7-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name3,7-diazabicyclo[4.2.0]octane
PubChem CID23282823
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name3,7-diazabicyclo[4.2.0]octane
SMILESC1CC2NCC2CN1
InChIInChI=1S/C6H12N2/c1-2-7-3-5-4-8-6(1)5/h5-8H,1-4H2
InChIKeyZWRBRSHGODNMOB-UHFFFAOYSA-N
XLogP-0.43
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,8-diazabicyclo[5.2.0]nonane
CID 122671923
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
5-(azepan-3-yl)-1,4-diazepane
CID 134482589
2-pyrrolidin-3-ylpiperidine
CID 54510813
1,2,3,3a,4,5,6,7,8,8a-decahydropyrrolo[2,3-d]azepine
CID 68900262
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[3,2-c]azepine
CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-pyrido[4,3-d]pyrimidin-2-one;hydrochloride
CID 154847327
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
5-methyl-2-piperidin-4-ylpiperidine
CID 57049710
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009

Frequently Asked Questions

What is the IUPAC name of 3,7-diazabicyclo[4.2.0]octane?
The IUPAC name of 3,7-diazabicyclo[4.2.0]octane (CID 23282823) is 3,7-diazabicyclo[4.2.0]octane.
What is the SMILES notation for 3,7-diazabicyclo[4.2.0]octane?
The canonical SMILES for 3,7-diazabicyclo[4.2.0]octane is C1CC2NCC2CN1.
What is the InChIKey of 3,7-diazabicyclo[4.2.0]octane?
The InChIKey is ZWRBRSHGODNMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-2-7-3-5-4-8-6(1)5/h5-8H,1-4H2.
What are the key properties of 3,7-diazabicyclo[4.2.0]octane?
3,7-diazabicyclo[4.2.0]octane has a molecular weight of 112.18 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 23282823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).