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2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

C12H20N2O — CID 155569384

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1C[C@@H]2C[C@@H]1CN2
InChIInChI=1S/C12H20N2O/c15-12(5-9-3-1-2-4-9)14-8-10-6-11(14)7-13-10/h9-11,13H,1-8H2/t10-,11+/m0/s1
InChIKeyZQXHJFCTXJBWDR-WDEREUQCSA-N
MW208.30 g/mol
LogP1.14
Rot. Bonds2

About 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone (PubChem CID 155569384) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
PubChem CID155569384
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
SMILESO=C(CC1CCCC1)N1C[C@@H]2C[C@@H]1CN2
InChIInChI=1S/C12H20N2O/c15-12(5-9-3-1-2-4-9)14-8-10-6-11(14)7-13-10/h9-11,13H,1-8H2/t10-,11+/m0/s1
InChIKeyZQXHJFCTXJBWDR-WDEREUQCSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone (CID 155569384) is 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone is O=C(CC1CCCC1)N1C[C@@H]2C[C@@H]1CN2.
What is the InChIKey of 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The InChIKey is ZQXHJFCTXJBWDR-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(5-9-3-1-2-4-9)14-8-10-6-11(14)7-13-10/h9-11,13H,1-8H2/t10-,11+/m0/s1.
What are the key properties of 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone has a molecular weight of 208.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone is sourced from PubChem (CID 155569384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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