cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone

C12H19NO2 — CID 84588579

IUPACcyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)C1=CCCC1
InChIInChI=1S/C12H19NO2/c1-12(2)9-15-8-7-13(12)11(14)10-5-3-4-6-10/h5H,3-4,6-9H2,1-2H3
InChIKeyBOKDVBUPDHHVKX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds1

About cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone

cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 84588579) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID84588579
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namecyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)COCCN1C(=O)C1=CCCC1
InChIInChI=1S/C12H19NO2/c1-12(2)9-15-8-7-13(12)11(14)10-5-3-4-6-10/h5H,3-4,6-9H2,1-2H3
InChIKeyBOKDVBUPDHHVKX-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone (CID 84588579) is cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone is CC1(C)COCCN1C(=O)C1=CCCC1.
What is the InChIKey of cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is BOKDVBUPDHHVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)9-15-8-7-13(12)11(14)10-5-3-4-6-10/h5H,3-4,6-9H2,1-2H3.
What are the key properties of cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone?
cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 84588579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).