6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide

C14H15BrN2O — CID 86953104

IUPAC6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H15BrN2O/c1-2-3-4-7-16-14(18)13-8-10-5-6-11(15)9-12(10)17-13/h2-3,5-6,8-9,17H,4,7H2,1H3,(H,16,18)/b3-2+
InChIKeyIUXIOMFNRYMBQZ-NSCUHMNNSA-N
MW307.19 g/mol
LogP3.63
Rot. Bonds4

About 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide

6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide (PubChem CID 86953104) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
PubChem CID86953104
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
SMILESC/C=C/CCNC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H15BrN2O/c1-2-3-4-7-16-14(18)13-8-10-5-6-11(15)9-12(10)17-13/h2-3,5-6,8-9,17H,4,7H2,1H3,(H,16,18)/b3-2+
InChIKeyIUXIOMFNRYMBQZ-NSCUHMNNSA-N
XLogP3.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide 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

N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 115627991
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
5-amino-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 113465240
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
6-bromo-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 86930517
6-bromo-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 55558900
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
3-[(6-bromo-1H-indole-2-carbonyl)-ethylamino]propanoic acid
CID 119191208
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
1-(6-bromo-1H-indol-2-yl)hexan-1-one
CID 158524896
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
6-bromo-N-[[(2S)-oxolan-2-yl]methyl]-1H-indole-2-carboxamide
CID 39977668

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide (CID 86953104) is 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide is C/C=C/CCNC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
The InChIKey is IUXIOMFNRYMBQZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-3-4-7-16-14(18)13-8-10-5-6-11(15)9-12(10)17-13/h2-3,5-6,8-9,17H,4,7H2,1H3,(H,16,18)/b3-2+.
What are the key properties of 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide?
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86953104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).