2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine

C14H24BrNO — CID 102900858

IUPAC2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
SMILESBrCC1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24BrNO/c15-10-12-4-3-9-16(12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2
InChIKeyVVEXOHRQZJGPRL-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.34
Rot. Bonds3

About 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine

2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine (PubChem CID 102900858) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
PubChem CID102900858
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
SMILESBrCC1CCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C14H24BrNO/c15-10-12-4-3-9-16(12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2
InChIKeyVVEXOHRQZJGPRL-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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[4.4]nonan-2-ylmethyl)ethanamine
CID 107487448
N-(2-bromoethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965337
2-(Bromomethyl)-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-methylpyrrolidine
CID 102785451
1-(1-Oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine-2-carbonitrile
CID 102898012
[(2S)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102900056
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102900849
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
N-(2-bromoethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropanamine
CID 102900855
N-(2-bromoethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopropanamine
CID 102900856
3-Bromo-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine
CID 102900859
3-Bromo-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine
CID 102900860

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine (CID 102900858) is 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine is BrCC1CCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
The InChIKey is VVEXOHRQZJGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO/c15-10-12-4-3-9-16(12)11-13-5-8-14(17-13)6-1-2-7-14/h12-13H,1-11H2.
What are the key properties of 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine?
2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine has a molecular weight of 302.26 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrolidine is sourced from PubChem (CID 102900858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).