3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine

C14H24BrNO — CID 102900860

IUPAC3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
SMILESBrC1CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C14H24BrNO/c15-12-5-9-16(10-12)11-13-4-8-14(17-13)6-2-1-3-7-14/h12-13H,1-11H2
InChIKeyDGRBFAYHXVUXFH-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.34
Rot. Bonds2

About 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine

3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine (PubChem CID 102900860) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
PubChem CID102900860
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
SMILESBrC1CCN(CC2CCC3(CCCCC3)O2)C1
InChIInChI=1S/C14H24BrNO/c15-12-5-9-16(10-12)11-13-4-8-14(17-13)6-2-1-3-7-14/h12-13H,1-11H2
InChIKeyDGRBFAYHXVUXFH-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.34
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

N-(2-bromoethyl)-2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107487449
N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 107488265
2-(2-Bromoethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900848
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-2-amine
CID 102900850
2-bromo-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102900851
2-bromo-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900852
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
CID 102900856
3-Bromo-8-(1-oxaspiro[4.5]decan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 102900857
2-(Bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900858
3-Bromo-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900859
4-(Bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900861
4-(Bromomethyl)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900862

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
The IUPAC name of 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine (CID 102900860) is 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine is BrC1CCN(CC2CCC3(CCCCC3)O2)C1.
What is the InChIKey of 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
The InChIKey is DGRBFAYHXVUXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-12-5-9-16(10-12)11-13-4-8-14(17-13)6-2-1-3-7-14/h12-13H,1-11H2.
What are the key properties of 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine?
3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine has a molecular weight of 302.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 102900860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).