cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone

C12H13N3O2 — CID 79097926

IUPACcyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C12H13N3O2/c1-8-13-11(14-17-8)7-15-5-4-10(6-15)12(16)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyGVDIRRIYWDXEGR-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.82
Rot. Bonds4

About cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79097926) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79097926
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namecyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone
SMILESCc1nc(Cn2ccc(C(=O)C3CC3)c2)no1
InChIInChI=1S/C12H13N3O2/c1-8-13-11(14-17-8)7-15-5-4-10(6-15)12(16)9-2-3-9/h4-6,9H,2-3,7H2,1H3
InChIKeyGVDIRRIYWDXEGR-UHFFFAOYSA-N
XLogP1.82
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone (CID 79097926) is cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is Cc1nc(Cn2ccc(C(=O)C3CC3)c2)no1.
What is the InChIKey of cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is GVDIRRIYWDXEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-13-11(14-17-8)7-15-5-4-10(6-15)12(16)9-2-3-9/h4-6,9H,2-3,7H2,1H3.
What are the key properties of cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 231.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79097926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).