(2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one

C9H16N2O — CID 146393522

IUPAC(2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCC(C)[C@@H]1CC[C@H]2CN1C(=O)N2
InChIInChI=1S/C9H16N2O/c1-6(2)8-4-3-7-5-11(8)9(12)10-7/h6-8H,3-5H2,1-2H3,(H,10,12)/t7-,8-/m0/s1
InChIKeyFBLKYDNPLADHLC-YUMQZZPRSA-N
MW168.24 g/mol
LogP1.20
Rot. Bonds1

About (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one

(2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 146393522) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID146393522
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESCC(C)[C@@H]1CC[C@H]2CN1C(=O)N2
InChIInChI=1S/C9H16N2O/c1-6(2)8-4-3-7-5-11(8)9(12)10-7/h6-8H,3-5H2,1-2H3,(H,10,12)/t7-,8-/m0/s1
InChIKeyFBLKYDNPLADHLC-YUMQZZPRSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one (CID 146393522) is (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one is CC(C)[C@@H]1CC[C@H]2CN1C(=O)N2.
What is the InChIKey of (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is FBLKYDNPLADHLC-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)8-4-3-7-5-11(8)9(12)10-7/h6-8H,3-5H2,1-2H3,(H,10,12)/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one?
(2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 168.24 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-propan-2-yl-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 146393522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).