2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one

C9H12N2O2 — CID 79429298

IUPAC2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one
SMILESCc1nonc1CC1CCCC1=O
InChIInChI=1S/C9H12N2O2/c1-6-8(11-13-10-6)5-7-3-2-4-9(7)12/h7H,2-5H2,1H3
InChIKeyLSUVTWGEIKZJIA-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.29
Rot. Bonds2

About 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one

2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one (PubChem CID 79429298) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one
PubChem CID79429298
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one
SMILESCc1nonc1CC1CCCC1=O
InChIInChI=1S/C9H12N2O2/c1-6-8(11-13-10-6)5-7-3-2-4-9(7)12/h7H,2-5H2,1H3
InChIKeyLSUVTWGEIKZJIA-UHFFFAOYSA-N
XLogP1.29
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one (CID 79429298) is 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one is Cc1nonc1CC1CCCC1=O.
What is the InChIKey of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is LSUVTWGEIKZJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-8(11-13-10-6)5-7-3-2-4-9(7)12/h7H,2-5H2,1H3.
What are the key properties of 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one?
2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 180.21 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 79429298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).