1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone

C15H23NO — CID 59374976

IUPAC1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESCC(=O)C12CC3CC1CC(N1CCCC1)(C3)C2
InChIInChI=1S/C15H23NO/c1-11(17)15-8-12-6-13(15)9-14(7-12,10-15)16-4-2-3-5-16/h12-13H,2-10H2,1H3
InChIKeyWOWATGHNZYIUKT-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.62
Rot. Bonds2

About 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone

1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone (PubChem CID 59374976) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
PubChem CID59374976
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
SMILESCC(=O)C12CC3CC1CC(N1CCCC1)(C3)C2
InChIInChI=1S/C15H23NO/c1-11(17)15-8-12-6-13(15)9-14(7-12,10-15)16-4-2-3-5-16/h12-13H,2-10H2,1H3
InChIKeyWOWATGHNZYIUKT-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine
CID 59374967
(5S,7R)-3-pyrrolidin-1-yladamantan-1-ol;hydrochloride
CID 134128984
1-(1,1-dioxo-1,2-thiazolidin-2-yl)tricyclo[3.3.1.03,7]nonane-3-carboxylic acid
CID 86642739
1-(2-hydroxy-1-adamantyl)ethanone
CID 591962
1-(2,2-dimethyl-1-adamantyl)piperidine
CID 71459394
1-(3,3,6-trimethyl-6-bicyclo[3.2.1]octanyl)ethanone
CID 123180070
(5R,7R)-3-acetyladamantane-1-carboxylic acid
CID 98051477
3-[1-(1-adamantyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 26332647
bis(2-pentyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69156202
[2-(3-piperidin-1-ylpropyl)-2-adamantyl] acetate
CID 10734406
bis(2-octyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69157016
bis(2-hexyl-2-adamantyl) adamantane-1,3-dicarboxylate
CID 69157393

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The IUPAC name of 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone (CID 59374976) is 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone.
What is the SMILES notation for 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The canonical SMILES for 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone is CC(=O)C12CC3CC1CC(N1CCCC1)(C3)C2.
What is the InChIKey of 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
The InChIKey is WOWATGHNZYIUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(17)15-8-12-6-13(15)9-14(7-12,10-15)16-4-2-3-5-16/h12-13H,2-10H2,1H3.
What are the key properties of 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone?
1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone has a molecular weight of 233.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-yl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone is sourced from PubChem (CID 59374976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).