2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide

C10H18BrNO2 — CID 107905887

IUPAC2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H18BrNO2/c1-8(11)9(13)12(2)7-10(14)5-3-4-6-10/h8,14H,3-7H2,1-2H3
InChIKeyJUEXTJVTHLJNKT-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.53
Rot. Bonds3

About 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide

2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide (PubChem CID 107905887) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
PubChem CID107905887
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
SMILESCC(Br)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C10H18BrNO2/c1-8(11)9(13)12(2)7-10(14)5-3-4-6-10/h8,14H,3-7H2,1-2H3
InChIKeyJUEXTJVTHLJNKT-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.53
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 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide (CID 107905887) is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide is CC(Br)C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
The InChIKey is JUEXTJVTHLJNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-8(11)9(13)12(2)7-10(14)5-3-4-6-10/h8,14H,3-7H2,1-2H3.
What are the key properties of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide?
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide has a molecular weight of 264.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 107905887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).