(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one

C5H8N2O — CID 69327135

IUPAC(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESO=C1NC2CCN[C@@H]12
InChIInChI=1S/C5H8N2O/c8-5-4-3(7-5)1-2-6-4/h3-4,6H,1-2H2,(H,7,8)/t3?,4-/m1/s1
InChIKeyRSHINDBAUNILFQ-SRBOSORUSA-N
MW112.13 g/mol
LogP-1.15
Rot. Bonds

About (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one

(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one (PubChem CID 69327135) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
PubChem CID69327135
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one
SMILESO=C1NC2CCN[C@@H]12
InChIInChI=1S/C5H8N2O/c8-5-4-3(7-5)1-2-6-4/h3-4,6H,1-2H2,(H,7,8)/t3?,4-/m1/s1
InChIKeyRSHINDBAUNILFQ-SRBOSORUSA-N
XLogP-1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
CID 102319648
1,2,3,3a,4,6a-hexahydrofuro[3,4-b]pyrrol-6-one
CID 162751013
(3R,4aR,8aR)-3-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 102434737
1,2,3,4,4a,5,6,7,8,9a-decahydropyrido[2,3-c]azepin-9-one
CID 165457744
2,6-diazabicyclo[3.2.1]octan-7-one
CID 59202076
(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
CID 66907470
6-azabicyclo[3.2.0]heptan-7-one
CID 549320
(1R,4R,9R,12R,17R,20R)-2,10,18-triazatetracyclo[18.4.0.04,9.012,17]tetracosane-3,11,19-trione
CID 11646502
(3aS,7aR)-1,1-dioxo-3a,4,5,6,7,7a-hexahydro-[1,2]thiazolo[4,5-b]pyridin-3-one
CID 131122587
2-azabicyclo[3.2.1]octan-7-one
CID 57485742
2-cyclopropylpiperidin-3-one
CID 115011356
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710

Frequently Asked Questions

What is the IUPAC name of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one (CID 69327135) is (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one is O=C1NC2CCN[C@@H]12.
What is the InChIKey of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
The InChIKey is RSHINDBAUNILFQ-SRBOSORUSA-N. The full InChI is InChI=1S/C5H8N2O/c8-5-4-3(7-5)1-2-6-4/h3-4,6H,1-2H2,(H,7,8)/t3?,4-/m1/s1.
What are the key properties of (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one?
(1R)-2,6-diazabicyclo[3.2.0]heptan-7-one has a molecular weight of 112.13 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,6-diazabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 69327135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).