2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone

C17H24N2O — CID 79854779

IUPAC2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CCCC2Cc2ccccc2)CCC1
InChIInChI=1S/C17H24N2O/c18-17(9-5-10-17)13-16(20)19-11-4-8-15(19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2
InChIKeyIRRDIKPOCCHZND-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.49
Rot. Bonds4

About 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone (PubChem CID 79854779) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
PubChem CID79854779
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CCCC2Cc2ccccc2)CCC1
InChIInChI=1S/C17H24N2O/c18-17(9-5-10-17)13-16(20)19-11-4-8-15(19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2
InChIKeyIRRDIKPOCCHZND-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)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

7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
CID 115434974
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
2-(1-aminocyclopentyl)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 64678965
2-(1-aminocyclobutyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 79854828
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
3-amino-1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 86813580
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
(4-aminocyclopent-2-en-1-yl)-(2-benzylpyrrolidin-1-yl)methanone
CID 79211356
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone (CID 79854779) is 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone is NC1(CC(=O)N2CCCC2Cc2ccccc2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone?
The InChIKey is IRRDIKPOCCHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-17(9-5-10-17)13-16(20)19-11-4-8-15(19)12-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,18H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79854779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).