5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide

C11H20BrNO2 — CID 107910195

IUPAC5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide
SMILESO=C(CCCCBr)NCC1(O)CCCC1
InChIInChI=1S/C11H20BrNO2/c12-8-4-1-5-10(14)13-9-11(15)6-2-3-7-11/h15H,1-9H2,(H,13,14)
InChIKeyWTIGMAAQGPJEPB-UHFFFAOYSA-N
MW278.19 g/mol
LogP1.97
Rot. Bonds6

About 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide

5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide (PubChem CID 107910195) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide
PubChem CID107910195
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide
SMILESO=C(CCCCBr)NCC1(O)CCCC1
InChIInChI=1S/C11H20BrNO2/c12-8-4-1-5-10(14)13-9-11(15)6-2-3-7-11/h15H,1-9H2,(H,13,14)
InChIKeyWTIGMAAQGPJEPB-UHFFFAOYSA-N
XLogP1.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide (CID 107910195) is 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide is O=C(CCCCBr)NCC1(O)CCCC1.
What is the InChIKey of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide?
The InChIKey is WTIGMAAQGPJEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c12-8-4-1-5-10(14)13-9-11(15)6-2-3-7-11/h15H,1-9H2,(H,13,14).
What are the key properties of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide?
5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide has a molecular weight of 278.19 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]pentanamide is sourced from PubChem (CID 107910195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).