5-bromo-N-(3-methylbut-2-enyl)pentanamide

C10H18BrNO — CID 106186058

IUPAC5-bromo-N-(3-methylbut-2-enyl)pentanamide
SMILESCC(C)=CCNC(=O)CCCCBr
InChIInChI=1S/C10H18BrNO/c1-9(2)6-8-12-10(13)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3,(H,12,13)
InChIKeyUQRLPZVZSHRIQN-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.63
Rot. Bonds6

About 5-bromo-N-(3-methylbut-2-enyl)pentanamide

5-bromo-N-(3-methylbut-2-enyl)pentanamide (PubChem CID 106186058) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-bromo-N-(3-methylbut-2-enyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylbut-2-enyl)pentanamide
PubChem CID106186058
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name5-bromo-N-(3-methylbut-2-enyl)pentanamide
SMILESCC(C)=CCNC(=O)CCCCBr
InChIInChI=1S/C10H18BrNO/c1-9(2)6-8-12-10(13)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3,(H,12,13)
InChIKeyUQRLPZVZSHRIQN-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.63
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-(3-methylbut-2-enyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-methylbut-2-enyl)pentanamide (CID 106186058) is 5-bromo-N-(3-methylbut-2-enyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-methylbut-2-enyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-methylbut-2-enyl)pentanamide is CC(C)=CCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-(3-methylbut-2-enyl)pentanamide?
The InChIKey is UQRLPZVZSHRIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(2)6-8-12-10(13)5-3-4-7-11/h6H,3-5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 5-bromo-N-(3-methylbut-2-enyl)pentanamide?
5-bromo-N-(3-methylbut-2-enyl)pentanamide has a molecular weight of 248.16 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylbut-2-enyl)pentanamide is sourced from PubChem (CID 106186058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).