[3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

C15H25NO2 — CID 71986108

IUPAC[3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC(C)CC1CCN(C(=O)C2CC3CCC2O3)C1
InChIInChI=1S/C15H25NO2/c1-10(2)7-11-5-6-16(9-11)15(17)13-8-12-3-4-14(13)18-12/h10-14H,3-9H2,1-2H3
InChIKeyHJSJMHSPDRVXCT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.45
Rot. Bonds3

About [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

[3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (PubChem CID 71986108) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
PubChem CID71986108
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
SMILESCC(C)CC1CCN(C(=O)C2CC3CCC2O3)C1
InChIInChI=1S/C15H25NO2/c1-10(2)7-11-5-6-16(9-11)15(17)13-8-12-3-4-14(13)18-12/h10-14H,3-9H2,1-2H3
InChIKeyHJSJMHSPDRVXCT-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The IUPAC name of [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone (CID 71986108) is [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone.
What is the SMILES notation for [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The canonical SMILES for [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is CC(C)CC1CCN(C(=O)C2CC3CCC2O3)C1.
What is the InChIKey of [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
The InChIKey is HJSJMHSPDRVXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)7-11-5-6-16(9-11)15(17)13-8-12-3-4-14(13)18-12/h10-14H,3-9H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone?
[3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone has a molecular weight of 251.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)pyrrolidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone is sourced from PubChem (CID 71986108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).