3-bromo-1-cyclopropylpyrrolidin-2-one

C7H10BrNO — CID 10798210

IUPAC3-bromo-1-cyclopropylpyrrolidin-2-one
SMILESO=C1C(Br)CCN1C1CC1
InChIInChI=1S/C7H10BrNO/c8-6-3-4-9(7(6)10)5-1-2-5/h5-6H,1-4H2
InChIKeyFLMMYHHUFMMQRD-UHFFFAOYSA-N
MW204.07 g/mol
LogP1.14
Rot. Bonds1

About 3-bromo-1-cyclopropylpyrrolidin-2-one

3-bromo-1-cyclopropylpyrrolidin-2-one (PubChem CID 10798210) has the molecular formula C7H10BrNO and a molecular weight of 204.07 g/mol. Its IUPAC name is 3-bromo-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-cyclopropylpyrrolidin-2-one
PubChem CID10798210
Molecular FormulaC7H10BrNO
Molecular Weight204.07 g/mol
Exact Mass202.99
IUPAC Name3-bromo-1-cyclopropylpyrrolidin-2-one
SMILESO=C1C(Br)CCN1C1CC1
InChIInChI=1S/C7H10BrNO/c8-6-3-4-9(7(6)10)5-1-2-5/h5-6H,1-4H2
InChIKeyFLMMYHHUFMMQRD-UHFFFAOYSA-N
XLogP1.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-bromo-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 3-bromo-1-cyclopropylpyrrolidin-2-one (CID 10798210) is 3-bromo-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-cyclopropylpyrrolidin-2-one is O=C1C(Br)CCN1C1CC1.
What is the InChIKey of 3-bromo-1-cyclopropylpyrrolidin-2-one?
The InChIKey is FLMMYHHUFMMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO/c8-6-3-4-9(7(6)10)5-1-2-5/h5-6H,1-4H2.
What are the key properties of 3-bromo-1-cyclopropylpyrrolidin-2-one?
3-bromo-1-cyclopropylpyrrolidin-2-one has a molecular weight of 204.07 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 10798210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).