2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide

C10H19BrN2O — CID 62854546

IUPAC2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCCC(Br)C(=O)NCCN1CCCC1
InChIInChI=1S/C10H19BrN2O/c1-2-9(11)10(14)12-5-8-13-6-3-4-7-13/h9H,2-8H2,1H3,(H,12,14)
InChIKeyLMCKRTBPBMDWBN-UHFFFAOYSA-N
MW263.18 g/mol
LogP1.37
Rot. Bonds5

About 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide

2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 62854546) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide
PubChem CID62854546
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCCC(Br)C(=O)NCCN1CCCC1
InChIInChI=1S/C10H19BrN2O/c1-2-9(11)10(14)12-5-8-13-6-3-4-7-13/h9H,2-8H2,1H3,(H,12,14)
InChIKeyLMCKRTBPBMDWBN-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 51.37
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

2-bromo-N-butylbutanamide
CID 25219707
2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 53216123
N-(2-pyrrolidin-1-ylethyl)butanamide
CID 59519151
2-bromo-3-methyl-N-[2-(propanoylamino)ethyl]butanamide
CID 87850921
1-(2-Bromobutanoyl)-4-methylpiperazin-1-ium bromide
CID 118035543
6-bromo-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 126668377
3-bromo-1-methylpyrrolidin-2-one;2,4-dibromobutanoyl bromide;2,4-dibromo-N-methylbutanamide
CID 157812101
2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;chloromethane
CID 158723630
2-bromo-N-(2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 160906174
2-Bromo-N-(2-(2-bromo-butyrylamino)-ethyl)-butyramide
CID 3851441
1-[4-(4-Bromobutylamino)but-2-ynyl]pyrrolidin-2-one
CID 5745171
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbutanamide
CID 18070575

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide (CID 62854546) is 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide is CCC(Br)C(=O)NCCN1CCCC1.
What is the InChIKey of 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is LMCKRTBPBMDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-2-9(11)10(14)12-5-8-13-6-3-4-7-13/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide?
2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 263.18 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 62854546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).