5-bromo-N-[(E)-pent-3-enyl]pentanamide

C10H18BrNO — CID 107910578

IUPAC5-bromo-N-[(E)-pent-3-enyl]pentanamide
SMILESC/C=C/CCNC(=O)CCCCBr
InChIInChI=1S/C10H18BrNO/c1-2-3-6-9-12-10(13)7-4-5-8-11/h2-3H,4-9H2,1H3,(H,12,13)/b3-2+
InChIKeyJKTYTDXLDWNIQW-NSCUHMNNSA-N
MW248.16 g/mol
LogP2.63
Rot. Bonds7

About 5-bromo-N-[(E)-pent-3-enyl]pentanamide

5-bromo-N-[(E)-pent-3-enyl]pentanamide (PubChem CID 107910578) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 5-bromo-N-[(E)-pent-3-enyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(E)-pent-3-enyl]pentanamide
PubChem CID107910578
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name5-bromo-N-[(E)-pent-3-enyl]pentanamide
SMILESC/C=C/CCNC(=O)CCCCBr
InChIInChI=1S/C10H18BrNO/c1-2-3-6-9-12-10(13)7-4-5-8-11/h2-3H,4-9H2,1H3,(H,12,13)/b3-2+
InChIKeyJKTYTDXLDWNIQW-NSCUHMNNSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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'}

Analyze 5-bromo-N-[(E)-pent-3-enyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-bromo-N-[6-(11-bromoundecanoylamino)hexyl]undecanamide
CID 87848232
N,N'-bis[(E)-dec-8-enyl]hexanediamide
CID 101279972
N,N'-bis[(E)-undec-9-enyl]hexanediamide
CID 101279982
2-chloro-N-[(E)-pent-3-enyl]acetamide
CID 115879893
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
2-(6-bromohexanoylamino)acetic acid
CID 18934957
5-bromo-N-[2-(dimethylamino)-2-oxoethyl]pentanamide
CID 107907997
2-(2-methoxyethoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628176
5-bromo-N-(2-butoxyethyl)pentanamide
CID 10016485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(E)-pent-3-enyl]pentanamide?
The IUPAC name of 5-bromo-N-[(E)-pent-3-enyl]pentanamide (CID 107910578) is 5-bromo-N-[(E)-pent-3-enyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(E)-pent-3-enyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(E)-pent-3-enyl]pentanamide is C/C=C/CCNC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[(E)-pent-3-enyl]pentanamide?
The InChIKey is JKTYTDXLDWNIQW-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-2-3-6-9-12-10(13)7-4-5-8-11/h2-3H,4-9H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 5-bromo-N-[(E)-pent-3-enyl]pentanamide?
5-bromo-N-[(E)-pent-3-enyl]pentanamide has a molecular weight of 248.16 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(E)-pent-3-enyl]pentanamide is sourced from PubChem (CID 107910578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).