1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one

C13H24BrNO — CID 104511279

IUPAC1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCCC(CBr)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C13H24BrNO/c1-4-5-11(7-14)8-15-9-12(10(2)3)6-13(15)16/h10-12H,4-9H2,1-3H3
InChIKeyUZBFGPUMGQDIIY-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one

1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511279) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511279
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCCCC(CBr)CN1CC(C(C)C)CC1=O
InChIInChI=1S/C13H24BrNO/c1-4-5-11(7-14)8-15-9-12(10(2)3)6-13(15)16/h10-12H,4-9H2,1-3H3
InChIKeyUZBFGPUMGQDIIY-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
1-[2-(ethylamino)propyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511458
1-(3-bromo-2,2-dimethylpropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511296
1-(3-chloro-2-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511295
1-[3,3-dimethyl-2-(propylamino)butyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511443
1-[2-(ethylamino)-3-methylpentyl]-4-propan-2-ylpyrrolidin-2-one
CID 113421062
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
CID 104679909
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
1-(oxiran-2-ylmethyl)-4-propan-2-ylpyrrolidin-2-one
CID 104511611
1-(2-amino-3-methoxy-3-methylbutyl)-4-propan-2-ylpyrrolidin-2-one
CID 114228631
2-acetamido-3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propanoic acid
CID 104511158

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511279) is 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one is CCCC(CBr)CN1CC(C(C)C)CC1=O.
What is the InChIKey of 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is UZBFGPUMGQDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-4-5-11(7-14)8-15-9-12(10(2)3)6-13(15)16/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 290.25 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)pentyl]-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).