3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide

C11H21BrN2O — CID 82109941

IUPAC3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
SMILESCCCN1CCC(CNC(=O)CCBr)C1
InChIInChI=1S/C11H21BrN2O/c1-2-6-14-7-4-10(9-14)8-13-11(15)3-5-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyRERIGRSHLKBTGU-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.62
Rot. Bonds6

About 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide

3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 82109941) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
PubChem CID82109941
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
SMILESCCCN1CCC(CNC(=O)CCBr)C1
InChIInChI=1S/C11H21BrN2O/c1-2-6-14-7-4-10(9-14)8-13-11(15)3-5-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyRERIGRSHLKBTGU-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1-propylpyrrolidin-3-yl)methyl]carbamate
CID 83981043
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
3-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
ethyl 4-oxo-4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butanoate
CID 61244678
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
N-[[1-(2-hydroxybutyl)piperidin-3-yl]methyl]butanamide
CID 111106203
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94503931
4-(2-hydroxy-2-methylpropyl)-3-methyl-N-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboxamide
CID 91650117
2-[[ethylamino-[(1-propylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364334
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide (CID 82109941) is 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide is CCCN1CCC(CNC(=O)CCBr)C1.
What is the InChIKey of 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is RERIGRSHLKBTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-2-6-14-7-4-10(9-14)8-13-11(15)3-5-12/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide?
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 277.21 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 82109941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).