2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

C15H19N3O2 — CID 83207384

IUPAC2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCCCc1noc(Cn2cc3c(c2)C(=O)CCCC3)n1
InChIInChI=1S/C15H19N3O2/c1-2-5-14-16-15(20-17-14)10-18-8-11-6-3-4-7-13(19)12(11)9-18/h8-9H,2-7,10H2,1H3
InChIKeyFPCKNZBKIBFKKC-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.78
Rot. Bonds4

About 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one

2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (PubChem CID 83207384) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.

Molecular Properties

Compound Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
PubChem CID83207384
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
SMILESCCCc1noc(Cn2cc3c(c2)C(=O)CCCC3)n1
InChIInChI=1S/C15H19N3O2/c1-2-5-14-16-15(20-17-14)10-18-8-11-6-3-4-7-13(19)12(11)9-18/h8-9H,2-7,10H2,1H3
InChIKeyFPCKNZBKIBFKKC-UHFFFAOYSA-N
XLogP2.78
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The IUPAC name of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one (CID 83207384) is 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one.
What is the SMILES notation for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The canonical SMILES for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is CCCc1noc(Cn2cc3c(c2)C(=O)CCCC3)n1.
What is the InChIKey of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
The InChIKey is FPCKNZBKIBFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-5-14-16-15(20-17-14)10-18-8-11-6-3-4-7-13(19)12(11)9-18/h8-9H,2-7,10H2,1H3.
What are the key properties of 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one?
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one has a molecular weight of 273.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one is sourced from PubChem (CID 83207384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).