1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine

C9H18BrNO — CID 165463199

IUPAC1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1CCCBr
InChIInChI=1S/C9H18BrNO/c1-12-8-9-4-2-6-11(9)7-3-5-10/h9H,2-8H2,1H3
InChIKeySEONMRLWQKBSAB-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.88
Rot. Bonds5

About 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine

1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 165463199) has the molecular formula C9H18BrNO and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
PubChem CID165463199
Molecular FormulaC9H18BrNO
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1CCCN1CCCBr
InChIInChI=1S/C9H18BrNO/c1-12-8-9-4-2-6-11(9)7-3-5-10/h9H,2-8H2,1H3
InChIKeySEONMRLWQKBSAB-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.88
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

3-[2-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 121201536
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(bromomethyl)-1-(4-methoxybutyl)pyrrolidine
CID 104649764
(2R)-2-(methoxymethyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 91831409
(2S)-2-(methoxymethyl)-1-(3-phenoxypropyl)pyrrolidine
CID 141200367
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
CID 134386635
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114526692
1-(2-bromoethyl)-2-ethylpyrrolidine
CID 61288740

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine (CID 165463199) is 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine is COCC1CCCN1CCCBr.
What is the InChIKey of 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is SEONMRLWQKBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO/c1-12-8-9-4-2-6-11(9)7-3-5-10/h9H,2-8H2,1H3.
What are the key properties of 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine?
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 236.15 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 165463199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).