2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine

C13H24BrNO — CID 102785673

IUPAC2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
SMILESCC1CCN(CCCC2CCCO2)C1CBr
InChIInChI=1S/C13H24BrNO/c1-11-6-8-15(13(11)10-14)7-2-4-12-5-3-9-16-12/h11-13H,2-10H2,1H3
InChIKeyYCOFUNNIIVQWAV-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.05
Rot. Bonds5

About 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine

2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine (PubChem CID 102785673) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
PubChem CID102785673
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
SMILESCC1CCN(CCCC2CCCO2)C1CBr
InChIInChI=1S/C13H24BrNO/c1-11-6-8-15(13(11)10-14)7-2-4-12-5-3-9-16-12/h11-13H,2-10H2,1H3
InChIKeyYCOFUNNIIVQWAV-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.05
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

2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 81209803
2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
CID 102785677
4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid
CID 114426342
2-(chloromethyl)-3-methyl-1-(oxolan-2-ylmethyl)pyrrolidine
CID 102784519
2-(3-bromopropyl)oxolane
CID 15783712
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methanamine
CID 65160928
1-[1-[3-(oxolan-2-yl)propyl]piperidin-2-yl]ethanamine
CID 65159449
1-[3-(oxolan-2-yl)propyl]piperidine-2-carbonitrile
CID 65161314
N-methyl-1-[4-[3-(oxolan-2-yl)propyl]morpholin-3-yl]methanamine
CID 83099650
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
N-[[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 65161350
2-tert-butyl-5-methyl-1-[3-(oxolan-2-yl)propyl]piperazine
CID 65170275

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
The IUPAC name of 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine (CID 102785673) is 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine is CC1CCN(CCCC2CCCO2)C1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
The InChIKey is YCOFUNNIIVQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-11-6-8-15(13(11)10-14)7-2-4-12-5-3-9-16-12/h11-13H,2-10H2,1H3.
What are the key properties of 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine?
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine has a molecular weight of 290.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine is sourced from PubChem (CID 102785673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).