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

C10H18BrNO — CID 112628030

IUPAC[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2(CBr)CC2)C1
InChIInChI=1S/C10H18BrNO/c11-7-10(2-3-10)8-12-4-1-9(5-12)6-13/h9,13H,1-8H2
InChIKeyIMVZMVOZPZIHEF-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.48
Rot. Bonds4

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

[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 112628030) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID112628030
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(CC2(CBr)CC2)C1
InChIInChI=1S/C10H18BrNO/c11-7-10(2-3-10)8-12-4-1-9(5-12)6-13/h9,13H,1-8H2
InChIKeyIMVZMVOZPZIHEF-UHFFFAOYSA-N
XLogP1.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.48
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)cyclopropyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol (CID 112628030) is [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(CC2(CBr)CC2)C1.
What is the InChIKey of [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is IMVZMVOZPZIHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c11-7-10(2-3-10)8-12-4-1-9(5-12)6-13/h9,13H,1-8H2.
What are the key properties of [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 248.16 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112628030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).