2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one

C13H23NO — CID 79866795

IUPAC2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one
SMILESCC1CCN(CC2CCC(C)(C)C2=O)C1
InChIInChI=1S/C13H23NO/c1-10-5-7-14(8-10)9-11-4-6-13(2,3)12(11)15/h10-11H,4-9H2,1-3H3
InChIKeyODLJUZYOGJJHAK-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds2

About 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one

2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one (PubChem CID 79866795) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one
PubChem CID79866795
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one
SMILESCC1CCN(CC2CCC(C)(C)C2=O)C1
InChIInChI=1S/C13H23NO/c1-10-5-7-14(8-10)9-11-4-6-13(2,3)12(11)15/h10-11H,4-9H2,1-3H3
InChIKeyODLJUZYOGJJHAK-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one 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

2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]cyclopentan-1-one
CID 79865698
2,2-dimethyl-5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]cyclopentan-1-one
CID 79867102
6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 114681871
5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 107228813
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 82690864
5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 102936279
2,2-dimethyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)cyclopentan-1-one
CID 79866689
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2,2-dimethylcyclopentan-1-one
CID 79866688
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852625
6-[(3-hydroxyazetidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 130892360
3-[(3-methylpyrrolidin-1-yl)methyl]oxan-4-one
CID 103057762

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one (CID 79866795) is 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one is CC1CCN(CC2CCC(C)(C)C2=O)C1.
What is the InChIKey of 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is ODLJUZYOGJJHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10-5-7-14(8-10)9-11-4-6-13(2,3)12(11)15/h10-11H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one?
2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(3-methylpyrrolidin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 79866795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).