1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol

C12H22BrNO — CID 131067156

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-11(2)10(15)4-7-14(11)9-12(8-13)5-3-6-12/h10,15H,3-9H2,1-2H3
InChIKeyKTCWOQUGUYOQIV-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.40
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol

1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol (PubChem CID 131067156) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol
PubChem CID131067156
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-11(2)10(15)4-7-14(11)9-12(8-13)5-3-6-12/h10,15H,3-9H2,1-2H3
InChIKeyKTCWOQUGUYOQIV-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
CID 130658724
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
CID 131160785
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
2-[[1-(bromomethyl)cyclobutyl]methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935200
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
8-[[1-(bromomethyl)cyclohexyl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65006543
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-ol
CID 117016800
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
1-[[1-(bromomethyl)cycloheptyl]methyl]-4-cyclopropylpiperazine
CID 65009981
1-[2-(aminomethyl)prop-2-enyl]-2,2-dimethylpyrrolidin-3-ol
CID 131114201
1,1-bis(bromomethyl)cyclobutane
CID 12651155

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol (CID 131067156) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol is CC1(C)C(O)CCN1CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is KTCWOQUGUYOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-11(2)10(15)4-7-14(11)9-12(8-13)5-3-6-12/h10,15H,3-9H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol?
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 276.22 g/mol, XLogP of 2.40, 3 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]-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 131067156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).