[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone

C12H20BrNO — CID 164660245

IUPAC[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone
SMILESCC1CC(C(=O)N2CCC(CBr)C2C)C1
InChIInChI=1S/C12H20BrNO/c1-8-5-11(6-8)12(15)14-4-3-10(7-13)9(14)2/h8-11H,3-7H2,1-2H3
InChIKeyZRTVJICZDHRQOS-UHFFFAOYSA-N
MW274.20 g/mol
LogP2.66
Rot. Bonds2

About [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone

[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone (PubChem CID 164660245) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone
PubChem CID164660245
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone
SMILESCC1CC(C(=O)N2CCC(CBr)C2C)C1
InChIInChI=1S/C12H20BrNO/c1-8-5-11(6-8)12(15)14-4-3-10(7-13)9(14)2/h8-11H,3-7H2,1-2H3
InChIKeyZRTVJICZDHRQOS-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone 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

3-(bromomethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 139490802
cyclobutyl-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 130944377
(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone
CID 164652443
[3-(chloromethyl)-2-methylpyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 130834478
3-methylcyclobutane-1-carboxylic acid
CID 3044406
1-[2-[2-(bromomethyl)cyclopropyl]pyrrolidin-1-yl]ethanone
CID 130138354
3-(bromomethyl)-1-tert-butylsulfonyl-2-methylpyrrolidine
CID 131140524
(2S,4R)-4-(bromomethyl)-2-methylpiperidine-1-carboxylic acid
CID 174173440
methyl 3-(cyanomethyl)-2-methylpyrrolidine-1-carboxylate
CID 83846725
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-bicyclo[3.1.0]hexanyl)methanone
CID 102783465
[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096
1-(azetidine-3-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79371917

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone?
The IUPAC name of [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone (CID 164660245) is [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone.
What is the SMILES notation for [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone?
The canonical SMILES for [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone is CC1CC(C(=O)N2CCC(CBr)C2C)C1.
What is the InChIKey of [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone?
The InChIKey is ZRTVJICZDHRQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO/c1-8-5-11(6-8)12(15)14-4-3-10(7-13)9(14)2/h8-11H,3-7H2,1-2H3.
What are the key properties of [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone?
[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone has a molecular weight of 274.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone is sourced from PubChem (CID 164660245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).