pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone

C16H25NO — CID 3110951

IUPACpyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone
SMILESO=C(N1CCCC1)C12CCC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c18-15(17-5-1-2-6-17)16-4-3-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2
InChIKeyJGPJDMHBSRGBLF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.22
Rot. Bonds1

About pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone

pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone (PubChem CID 3110951) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone
PubChem CID3110951
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namepyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone
SMILESO=C(N1CCCC1)C12CCC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c18-15(17-5-1-2-6-17)16-4-3-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2
InChIKeyJGPJDMHBSRGBLF-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone?
The IUPAC name of pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone (CID 3110951) is pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone?
The canonical SMILES for pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone is O=C(N1CCCC1)C12CCC3CC(CC(C3)C1)C2.
What is the InChIKey of pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone?
The InChIKey is JGPJDMHBSRGBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-15(17-5-1-2-6-17)16-4-3-12-7-13(10-16)9-14(8-12)11-16/h12-14H,1-11H2.
What are the key properties of pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone?
pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(3-tricyclo[4.3.1.13,8]undecanyl)methanone is sourced from PubChem (CID 3110951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).