4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone

C16H25NO — CID 102554326

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone
SMILESO=C(C1CCCC1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO/c18-16(14-3-1-2-4-14)17-10-13-6-11-5-12(7-13)9-15(17)8-11/h11-15H,1-10H2
InChIKeyHOTPWGRXKZIFGH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds1

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone (PubChem CID 102554326) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone
PubChem CID102554326
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone
SMILESO=C(C1CCCC1)N1CC2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO/c18-16(14-3-1-2-4-14)17-10-13-6-11-5-12(7-13)9-15(17)8-11/h11-15H,1-10H2
InChIKeyHOTPWGRXKZIFGH-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone (CID 102554326) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone is O=C(C1CCCC1)N1CC2CC3CC(C2)CC1C3.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone?
The InChIKey is HOTPWGRXKZIFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-16(14-3-1-2-4-14)17-10-13-6-11-5-12(7-13)9-15(17)8-11/h11-15H,1-10H2.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl(cyclopentyl)methanone is sourced from PubChem (CID 102554326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).