2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

C11H19BrN2O — CID 107905215

IUPAC2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(Br)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H19BrN2O/c1-9(12)11(15)14-7-4-10(8-14)13-5-2-3-6-13/h9-10H,2-8H2,1H3
InChIKeyGVUIPCVRTVQVHC-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.47
Rot. Bonds2

About 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one

2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 107905215) has the molecular formula C11H19BrN2O and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
PubChem CID107905215
Molecular FormulaC11H19BrN2O
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(Br)C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H19BrN2O/c1-9(12)11(15)14-7-4-10(8-14)13-5-2-3-6-13/h9-10H,2-8H2,1H3
InChIKeyGVUIPCVRTVQVHC-UHFFFAOYSA-N
XLogP1.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 63167118
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-(aminomethyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 63168547
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458
methyl 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)butanoate
CID 119035208
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-bromobutan-1-one
CID 62855966
2-(3-piperidin-1-ylpyrrolidine-1-carbonyl)butanethioamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one (CID 107905215) is 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is CC(Br)C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is GVUIPCVRTVQVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O/c1-9(12)11(15)14-7-4-10(8-14)13-5-2-3-6-13/h9-10H,2-8H2,1H3.
What are the key properties of 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one?
2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 275.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 107905215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).