3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone

C11H14N2O2 — CID 25072305

IUPAC3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC2CNCC21
InChIInChI=1S/C11H14N2O2/c1-7-9(2-3-15-7)11(14)13-6-8-4-12-5-10(8)13/h2-3,8,10,12H,4-6H2,1H3
InChIKeyCHYFRQVYOZHKNU-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.63
Rot. Bonds1

About 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone

3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone (PubChem CID 25072305) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone
PubChem CID25072305
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC2CNCC21
InChIInChI=1S/C11H14N2O2/c1-7-9(2-3-15-7)11(14)13-6-8-4-12-5-10(8)13/h2-3,8,10,12H,4-6H2,1H3
InChIKeyCHYFRQVYOZHKNU-UHFFFAOYSA-N
XLogP0.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diazabicyclo[3.2.0]heptan-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 25072614
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(2-methylfuran-3-yl)methanone
CID 71929594
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(2-methylfuran-3-yl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274234
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 102787648
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-methylfuran-3-carboxamide
CID 43594332
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 128988349
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
CID 106688551

Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone?
The IUPAC name of 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone (CID 25072305) is 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone?
The canonical SMILES for 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC2CNCC21.
What is the InChIKey of 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone?
The InChIKey is CHYFRQVYOZHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-9(2-3-15-7)11(14)13-6-8-4-12-5-10(8)13/h2-3,8,10,12H,4-6H2,1H3.
What are the key properties of 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone?
3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone has a molecular weight of 206.24 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.2.0]heptan-6-yl-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 25072305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).