[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol

C11H20BrNO — CID 65009034

IUPAC[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1(CBr)CCC1
InChIInChI=1S/C11H20BrNO/c12-8-11(4-2-5-11)9-13-6-1-3-10(13)7-14/h10,14H,1-9H2
InChIKeyPDFZCOHVPJEVNA-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.01
Rot. Bonds4

About [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 65009034) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID65009034
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1(CBr)CCC1
InChIInChI=1S/C11H20BrNO/c12-8-11(4-2-5-11)9-13-6-1-3-10(13)7-14/h10,14H,1-9H2
InChIKeyPDFZCOHVPJEVNA-UHFFFAOYSA-N
XLogP2.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301
3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 65013619
[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
CID 131160785
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 62260834
N'-hydroxy-2-[1-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 77071455
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759
1-[[1-(bromomethyl)cycloheptyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319651

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol (CID 65009034) is [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1(CBr)CCC1.
What is the InChIKey of [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PDFZCOHVPJEVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c12-8-11(4-2-5-11)9-13-6-1-3-10(13)7-14/h10,14H,1-9H2.
What are the key properties of [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 262.19 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 65009034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).