2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide

C11H19BrN2O2 — CID 114329095

IUPAC2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)(C)Br)C(=O)N1CCCC1
InChIInChI=1S/C11H19BrN2O2/c1-8(13-10(16)11(2,3)12)9(15)14-6-4-5-7-14/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyBOHIMNXNWNPQSM-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.29
Rot. Bonds3

About 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide

2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide (PubChem CID 114329095) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
PubChem CID114329095
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
SMILESCC(NC(=O)C(C)(C)Br)C(=O)N1CCCC1
InChIInChI=1S/C11H19BrN2O2/c1-8(13-10(16)11(2,3)12)9(15)14-6-4-5-7-14/h8H,4-7H2,1-3H3,(H,13,16)
InChIKeyBOHIMNXNWNPQSM-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.29
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

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CID 51712
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CID 3050866
(2S)-N-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 11275430
N-{2-[Methyl(propan-2-yl)amino]ethyl}-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374413
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 15130907
2-[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]-N-propylpropanamide
CID 56789731
N,N-dimethyl-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanamide
CID 56813014
2-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 71684096
N-methyl-2-pyrrolidin-1-ylpropanamide
CID 14804440
2-(Propan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 20113408
N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 21057246

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide (CID 114329095) is 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide is CC(NC(=O)C(C)(C)Br)C(=O)N1CCCC1.
What is the InChIKey of 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
The InChIKey is BOHIMNXNWNPQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-8(13-10(16)11(2,3)12)9(15)14-6-4-5-7-14/h8H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide?
2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide has a molecular weight of 291.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 114329095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).