3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone

C10H16N2O2 — CID 89273584

IUPAC3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1C2CNCC1C2
InChIInChI=1S/C10H16N2O2/c13-10(9-2-1-3-14-9)12-7-4-8(12)6-11-5-7/h7-9,11H,1-6H2/t7?,8?,9-/m0/s1
InChIKeyPJSWKRICXVRRFB-HACHORDNSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds1

About 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone

3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone (PubChem CID 89273584) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone
PubChem CID89273584
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1C2CNCC1C2
InChIInChI=1S/C10H16N2O2/c13-10(9-2-1-3-14-9)12-7-4-8(12)6-11-5-7/h7-9,11H,1-6H2/t7?,8?,9-/m0/s1
InChIKeyPJSWKRICXVRRFB-HACHORDNSA-N
XLogP-0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperazin-1-yl)-[(2R)-oxolan-2-yl]methanone
CID 104856290
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2R)-oxolan-2-yl]methanone
CID 103850249
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
CID 103873635
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-2-yl)methanone
CID 80677764
2-[8-[(2R)-oxolane-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 104855839
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
CID 102679333
2-[8-(oxane-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79614863
(3,5-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
CID 71683933
3,6-diazabicyclo[3.1.1]heptane-6-carboxylic acid
CID 142316652
oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 54885653
N-methyl-1-[(2R)-oxolane-2-carbonyl]piperazine-2-carboxamide
CID 104856345

Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone (CID 89273584) is 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1C2CNCC1C2.
What is the InChIKey of 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone?
The InChIKey is PJSWKRICXVRRFB-HACHORDNSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10(9-2-1-3-14-9)12-7-4-8(12)6-11-5-7/h7-9,11H,1-6H2/t7?,8?,9-/m0/s1.
What are the key properties of 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone?
3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone has a molecular weight of 196.25 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.1.1]heptan-6-yl-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 89273584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).