(3R)-3-bromo-1-ethylpyrrolidin-2-one

C6H10BrNO — CID 86332494

IUPAC(3R)-3-bromo-1-ethylpyrrolidin-2-one
SMILESCCN1CC[C@@H](Br)C1=O
InChIInChI=1S/C6H10BrNO/c1-2-8-4-3-5(7)6(8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyQMRGQOUTQLPNCD-RXMQYKEDSA-N
MW192.06 g/mol
LogP1.00
Rot. Bonds1

About (3R)-3-bromo-1-ethylpyrrolidin-2-one

(3R)-3-bromo-1-ethylpyrrolidin-2-one (PubChem CID 86332494) has the molecular formula C6H10BrNO and a molecular weight of 192.06 g/mol. Its IUPAC name is (3R)-3-bromo-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-bromo-1-ethylpyrrolidin-2-one
PubChem CID86332494
Molecular FormulaC6H10BrNO
Molecular Weight192.06 g/mol
Exact Mass190.99
IUPAC Name(3R)-3-bromo-1-ethylpyrrolidin-2-one
SMILESCCN1CC[C@@H](Br)C1=O
InChIInChI=1S/C6H10BrNO/c1-2-8-4-3-5(7)6(8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyQMRGQOUTQLPNCD-RXMQYKEDSA-N
XLogP1.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 51.00
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

3-bromo-1-(2-ethyl-2-hydroxybutyl)pyrrolidin-2-one
CID 65114843
3-bromo-1-(2,3-dimethylbutyl)pyrrolidin-2-one
CID 64584028
N-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 63789994
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 104766118
3-bromo-1-(5-methylhexyl)pyrrolidin-2-one
CID 115326986
3-(dimethylamino)-1-ethylpyrrolidin-2-one
CID 20680830
methyl 3-[(3S)-3-bromo-2-oxopyrrolidin-1-yl]propanoate
CID 124508781
3-(3-bromo-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanamide
CID 106279166
3-bromo-1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 66108240
3-bromo-1-(oxan-4-ylmethyl)pyrrolidin-2-one
CID 63788760
3-bromo-1-[(4-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 106137663
3-bromo-1-(3-ethylpentan-3-yl)pyrrolidin-2-one
CID 65043772

Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-1-ethylpyrrolidin-2-one?
The IUPAC name of (3R)-3-bromo-1-ethylpyrrolidin-2-one (CID 86332494) is (3R)-3-bromo-1-ethylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-bromo-1-ethylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-bromo-1-ethylpyrrolidin-2-one is CCN1CC[C@@H](Br)C1=O.
What is the InChIKey of (3R)-3-bromo-1-ethylpyrrolidin-2-one?
The InChIKey is QMRGQOUTQLPNCD-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10BrNO/c1-2-8-4-3-5(7)6(8)9/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-bromo-1-ethylpyrrolidin-2-one?
(3R)-3-bromo-1-ethylpyrrolidin-2-one has a molecular weight of 192.06 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 86332494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).