3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one

C10H16BrNO2 — CID 65114893

IUPAC3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1C(Br)CCN1CC1(O)CCCC1
InChIInChI=1S/C10H16BrNO2/c11-8-3-6-12(9(8)13)7-10(14)4-1-2-5-10/h8,14H,1-7H2
InChIKeyMMOHFIZXLMQSFR-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.29
Rot. Bonds2

About 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one

3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one (PubChem CID 65114893) has the molecular formula C10H16BrNO2 and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one
PubChem CID65114893
Molecular FormulaC10H16BrNO2
Molecular Weight262.15 g/mol
Exact Mass261.04
IUPAC Name3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1C(Br)CCN1CC1(O)CCCC1
InChIInChI=1S/C10H16BrNO2/c11-8-3-6-12(9(8)13)7-10(14)4-1-2-5-10/h8,14H,1-7H2
InChIKeyMMOHFIZXLMQSFR-UHFFFAOYSA-N
XLogP1.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.29
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

3-Bromo-1-(2-ethyl-2-hydroxybutyl)pyrrolidin-2-one
CID 65114843
3-Bromo-1-[(1-hydroxycyclopentyl)methyl]piperidin-2-one
CID 65114845
3-Bromo-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 65114945
3-Bromo-1-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 65119176
3-Bromo-1-[(1-hydroxycycloheptyl)methyl]pyrrolidin-2-one
CID 65122121
3-Bromo-1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidin-2-one
CID 66172469
3-Bromo-1-(2-hydroxy-2-methylpentyl)pyrrolidin-2-one
CID 106292734
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 107905887
5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
CID 107910714
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide
CID 114948686
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 114948687
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpropanamide
CID 114948690

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one (CID 65114893) is 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one is O=C1C(Br)CCN1CC1(O)CCCC1.
What is the InChIKey of 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one?
The InChIKey is MMOHFIZXLMQSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO2/c11-8-3-6-12(9(8)13)7-10(14)4-1-2-5-10/h8,14H,1-7H2.
What are the key properties of 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one?
3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one has a molecular weight of 262.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 65114893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).