4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one

C8H14BrNO2 — CID 168504911

IUPAC4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1CCCO
InChIInChI=1S/C8H14BrNO2/c9-5-7-4-8(12)10(6-7)2-1-3-11/h7,11H,1-6H2
InChIKeyZTDVPKNMWALHKL-UHFFFAOYSA-N
MW236.11 g/mol
LogP0.61
Rot. Bonds4

About 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one

4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one (PubChem CID 168504911) has the molecular formula C8H14BrNO2 and a molecular weight of 236.11 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
PubChem CID168504911
Molecular FormulaC8H14BrNO2
Molecular Weight236.11 g/mol
Exact Mass235.02
IUPAC Name4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1CCCO
InChIInChI=1S/C8H14BrNO2/c9-5-7-4-8(12)10(6-7)2-1-3-11/h7,11H,1-6H2
InChIKeyZTDVPKNMWALHKL-UHFFFAOYSA-N
XLogP0.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 50.61
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

4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]ethanesulfonic acid
CID 168504951
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168504859
tert-butyl N-[6-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]hexyl]carbamate
CID 168503582
S-[[1-(4-hydroxybutyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667570
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389
4-(bromomethyl)-1-(2,2-difluoroethyl)pyrrolidin-2-one
CID 168504854
4-(bromomethyl)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]pyrrolidin-2-one
CID 168503140
1-(3-hydroxypropyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714823
4-(hydroxymethyl)-1-undecylpyrrolidin-2-one
CID 175080693
1-[2-(4-aminophenyl)ethyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168504969

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one (CID 168504911) is 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one is O=C1CC(CBr)CN1CCCO.
What is the InChIKey of 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is ZTDVPKNMWALHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO2/c9-5-7-4-8(12)10(6-7)2-1-3-11/h7,11H,1-6H2.
What are the key properties of 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 236.11 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 168504911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).