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

C10H18BrNO2 — CID 65105173

IUPAC2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide
SMILESCCC(Br)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C10H18BrNO2/c1-2-8(11)9(13)12-7-10(14)5-3-4-6-10/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyRVXLAYTWOBOHTG-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.58
Rot. Bonds4

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

2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide (PubChem CID 65105173) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide
PubChem CID65105173
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide
SMILESCCC(Br)C(=O)NCC1(O)CCCC1
InChIInChI=1S/C10H18BrNO2/c1-2-8(11)9(13)12-7-10(14)5-3-4-6-10/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyRVXLAYTWOBOHTG-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.58
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]butanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide (CID 65105173) is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide is CCC(Br)C(=O)NCC1(O)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide?
The InChIKey is RVXLAYTWOBOHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-2-8(11)9(13)12-7-10(14)5-3-4-6-10/h8,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide?
2-bromo-N-[(1-hydroxycyclopentyl)methyl]butanamide has a molecular weight of 264.16 g/mol, XLogP of 1.58, 4 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]butanamide is sourced from PubChem (CID 65105173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).