cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone

C12H20N2O — CID 97404071

IUPACcyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
SMILESO=C(C1CCCC1)N1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C12H20N2O/c15-12(9-3-1-2-4-9)14-8-10-5-6-13-7-11(10)14/h9-11,13H,1-8H2/t10-,11-/m0/s1
InChIKeyNHYGAQHRJACXAR-QWRGUYRKSA-N
MW208.30 g/mol
LogP1.00
Rot. Bonds1

About cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone

cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone (PubChem CID 97404071) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
PubChem CID97404071
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Namecyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone
SMILESO=C(C1CCCC1)N1C[C@@H]2CCNC[C@@H]21
InChIInChI=1S/C12H20N2O/c15-12(9-3-1-2-4-9)14-8-10-5-6-13-7-11(10)14/h9-11,13H,1-8H2/t10-,11-/m0/s1
InChIKeyNHYGAQHRJACXAR-QWRGUYRKSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
The IUPAC name of cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone (CID 97404071) is cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone.
What is the SMILES notation for cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
The canonical SMILES for cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone is O=C(C1CCCC1)N1C[C@@H]2CCNC[C@@H]21.
What is the InChIKey of cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
The InChIKey is NHYGAQHRJACXAR-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(9-3-1-2-4-9)14-8-10-5-6-13-7-11(10)14/h9-11,13H,1-8H2/t10-,11-/m0/s1.
What are the key properties of cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone?
cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone has a molecular weight of 208.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(1R,6S)-3,8-diazabicyclo[4.2.0]octan-8-yl]methanone is sourced from PubChem (CID 97404071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).