4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one

C14H18BrNO2 — CID 168503437

IUPAC4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1C(CO)Cc1ccccc1
InChIInChI=1S/C14H18BrNO2/c15-8-12-7-14(18)16(9-12)13(10-17)6-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2
InChIKeyGHAWRNLRLKUGGT-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.83
Rot. Bonds5

About 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one

4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one (PubChem CID 168503437) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
PubChem CID168503437
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1C(CO)Cc1ccccc1
InChIInChI=1S/C14H18BrNO2/c15-8-12-7-14(18)16(9-12)13(10-17)6-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2
InChIKeyGHAWRNLRLKUGGT-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one (CID 168503437) is 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one is O=C1CC(CBr)CN1C(CO)Cc1ccccc1.
What is the InChIKey of 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
The InChIKey is GHAWRNLRLKUGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-8-12-7-14(18)16(9-12)13(10-17)6-11-4-2-1-3-5-11/h1-5,12-13,17H,6-10H2.
What are the key properties of 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one?
4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one has a molecular weight of 312.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168503437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).