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

C9H16BrNO2 — CID 107905359

IUPAC2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Br)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C9H16BrNO2/c1-7(10)8(12)11-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyDQLSUMSFQNJECP-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.19
Rot. Bonds3

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

2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 107905359) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID107905359
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESCC(Br)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C9H16BrNO2/c1-7(10)8(12)11-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3,(H,11,12)
InChIKeyDQLSUMSFQNJECP-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.19
H-Bond Donors ≤ 52
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]propanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 107905359) is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide is CC(Br)C(=O)NCC1(O)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is DQLSUMSFQNJECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c1-7(10)8(12)11-6-9(13)4-2-3-5-9/h7,13H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide?
2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 250.14 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 107905359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).