[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol

C12H22BrNO — CID 112628015

IUPAC[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2(CBr)CCCC2)C1
InChIInChI=1S/C12H22BrNO/c13-9-12(4-1-2-5-12)10-14-6-3-11(7-14)8-15/h11,15H,1-10H2
InChIKeyWKSFPLOKOUJJSJ-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.26
Rot. Bonds4

About [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol

[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 112628015) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID112628015
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2(CBr)CCCC2)C1
InChIInChI=1S/C12H22BrNO/c13-9-12(4-1-2-5-12)10-14-6-3-11(7-14)8-15/h11,15H,1-10H2
InChIKeyWKSFPLOKOUJJSJ-UHFFFAOYSA-N
XLogP2.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol (CID 112628015) is [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(CC2(CBr)CCCC2)C1.
What is the InChIKey of [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is WKSFPLOKOUJJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c13-9-12(4-1-2-5-12)10-14-6-3-11(7-14)8-15/h11,15H,1-10H2.
What are the key properties of [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 276.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).