cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

C11H16N2O — CID 166150879

IUPACcyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(C1=CCCC1)N1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C11H16N2O/c14-11(8-3-1-2-4-8)13-7-9-5-10(13)6-12-9/h3,9-10,12H,1-2,4-7H2/t9-,10-/m0/s1
InChIKeyZESJNWYGNLZBDJ-UWVGGRQHSA-N
MW192.26 g/mol
LogP0.67
Rot. Bonds1

About cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone

cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 166150879) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID166150879
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namecyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
SMILESO=C(C1=CCCC1)N1C[C@@H]2C[C@H]1CN2
InChIInChI=1S/C11H16N2O/c14-11(8-3-1-2-4-8)13-7-9-5-10(13)6-12-9/h3,9-10,12H,1-2,4-7H2/t9-,10-/m0/s1
InChIKeyZESJNWYGNLZBDJ-UWVGGRQHSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone (CID 166150879) is cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is O=C(C1=CCCC1)N1C[C@@H]2C[C@H]1CN2.
What is the InChIKey of cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is ZESJNWYGNLZBDJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(8-3-1-2-4-8)13-7-9-5-10(13)6-12-9/h3,9-10,12H,1-2,4-7H2/t9-,10-/m0/s1.
What are the key properties of cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone?
cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 192.26 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 166150879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).