5-bromo-N-prop-2-enylpentanamide

C8H14BrNO — CID 10489076

IUPAC5-bromo-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCCBr
InChIInChI=1S/C8H14BrNO/c1-2-7-10-8(11)5-3-4-6-9/h2H,1,3-7H2,(H,10,11)
InChIKeyXHBMWMYZFVFABX-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.85
Rot. Bonds6

About 5-bromo-N-prop-2-enylpentanamide

5-bromo-N-prop-2-enylpentanamide (PubChem CID 10489076) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 5-bromo-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name5-bromo-N-prop-2-enylpentanamide
PubChem CID10489076
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name5-bromo-N-prop-2-enylpentanamide
SMILESC=CCNC(=O)CCCCBr
InChIInChI=1S/C8H14BrNO/c1-2-7-10-8(11)5-3-4-6-9/h2H,1,3-7H2,(H,10,11)
InChIKeyXHBMWMYZFVFABX-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-prop-2-enylpentanamide?
The IUPAC name of 5-bromo-N-prop-2-enylpentanamide (CID 10489076) is 5-bromo-N-prop-2-enylpentanamide.
What is the SMILES notation for 5-bromo-N-prop-2-enylpentanamide?
The canonical SMILES for 5-bromo-N-prop-2-enylpentanamide is C=CCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-prop-2-enylpentanamide?
The InChIKey is XHBMWMYZFVFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c1-2-7-10-8(11)5-3-4-6-9/h2H,1,3-7H2,(H,10,11).
What are the key properties of 5-bromo-N-prop-2-enylpentanamide?
5-bromo-N-prop-2-enylpentanamide has a molecular weight of 220.11 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-prop-2-enylpentanamide is sourced from PubChem (CID 10489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).