[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone

C10H16BrNO2 — CID 80666825

IUPAC[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CBr)C1
InChIInChI=1S/C10H16BrNO2/c11-5-8-1-3-12(6-8)10(13)9-2-4-14-7-9/h8-9H,1-7H2
InChIKeyNWYWZOWTRCCTJW-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.27
Rot. Bonds2

About [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone

[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 80666825) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID80666825
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCC(CBr)C1
InChIInChI=1S/C10H16BrNO2/c11-5-8-1-3-12(6-8)10(13)9-2-4-14-7-9/h8-9H,1-7H2
InChIKeyNWYWZOWTRCCTJW-UHFFFAOYSA-N
XLogP1.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.27
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-hydroxyethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 115746294
[3-(2-chloroethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 114801260
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 62759965
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129357459
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
(4-chloro-3-methylpiperidin-1-yl)-(oxolan-3-yl)methanone
CID 114683166
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone (CID 80666825) is [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is NWYWZOWTRCCTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c11-5-8-1-3-12(6-8)10(13)9-2-4-14-7-9/h8-9H,1-7H2.
What are the key properties of [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone?
[3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 262.15 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 80666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).