3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol

C12H22BrNO — CID 65013619

IUPAC3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1(CBr)CC1
InChIInChI=1S/C12H22BrNO/c13-9-12(5-6-12)10-14-7-1-3-11(14)4-2-8-15/h11,15H,1-10H2
InChIKeyVHMCCFUWOLDAQL-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.40
Rot. Bonds6

About 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 65013619) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID65013619
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CC1(CBr)CC1
InChIInChI=1S/C12H22BrNO/c13-9-12(5-6-12)10-14-7-1-3-11(14)4-2-8-15/h11,15H,1-10H2
InChIKeyVHMCCFUWOLDAQL-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 62479395
3-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 80601823
[1-[[1-(phosphanylmethyl)cyclopropyl]methyl]pyrrolidin-2-yl]methanol
CID 172627736
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
6-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848433

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 65013619) is 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CC1(CBr)CC1.
What is the InChIKey of 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is VHMCCFUWOLDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c13-9-12(5-6-12)10-14-7-1-3-11(14)4-2-8-15/h11,15H,1-10H2.
What are the key properties of 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 276.22 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 65013619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).