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

C12H22BrNO2 — CID 107910714

IUPAC5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCCCBr
InChIInChI=1S/C12H22BrNO2/c1-14(11(15)6-2-5-9-13)10-12(16)7-3-4-8-12/h16H,2-10H2,1H3
InChIKeyRIKQSTPVQQEQEE-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.32
Rot. Bonds6

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

5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide (PubChem CID 107910714) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
PubChem CID107910714
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
SMILESCN(CC1(O)CCCC1)C(=O)CCCCBr
InChIInChI=1S/C12H22BrNO2/c1-14(11(15)6-2-5-9-13)10-12(16)7-3-4-8-12/h16H,2-10H2,1H3
InChIKeyRIKQSTPVQQEQEE-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.32
H-Bond Donors ≤ 51
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]-N-methylpentanamide?
The IUPAC name of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide (CID 107910714) is 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide is CN(CC1(O)CCCC1)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
The InChIKey is RIKQSTPVQQEQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-14(11(15)6-2-5-9-13)10-12(16)7-3-4-8-12/h16H,2-10H2,1H3.
What are the key properties of 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide?
5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide has a molecular weight of 292.22 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 107910714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).