N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide

C14H16N2O — CID 103528166

IUPACN-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
SMILESCC(C)=CCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H16N2O/c1-10(2)5-7-16-14(17)12-4-3-11-6-8-15-13(11)9-12/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyRQTQJOILWMXJMH-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.86
Rot. Bonds3

About N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide

N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide (PubChem CID 103528166) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
PubChem CID103528166
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-(3-methylbut-2-enyl)-1H-indole-6-carboxamide
SMILESCC(C)=CCNC(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C14H16N2O/c1-10(2)5-7-16-14(17)12-4-3-11-6-8-15-13(11)9-12/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyRQTQJOILWMXJMH-UHFFFAOYSA-N
XLogP2.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-6-carboxamide
CID 102907607
N-(2-methylsulfinylpropyl)-1H-indole-6-carboxamide
CID 113336626
N-[(2S)-2-phenylpropyl]-1H-indole-6-carboxamide
CID 39704482
1-[(1H-indole-6-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449311
N-[2-(2-methoxyethylamino)ethyl]-1H-indole-6-carboxamide
CID 83040136
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
3-[(1H-indole-6-carbonylamino)methyl]benzoic acid
CID 84761714
N-(3-methoxy-2-methylpropyl)-1H-indole-6-carboxamide
CID 47432269
1-[(1H-indole-6-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362162
ethane;1H-indole-6-carboxylic acid
CID 142472960
N-tert-butyl-1H-indole-6-carboxamide
CID 47299645

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide?
The IUPAC name of N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide (CID 103528166) is N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide is CC(C)=CCNC(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide?
The InChIKey is RQTQJOILWMXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)5-7-16-14(17)12-4-3-11-6-8-15-13(11)9-12/h3-6,8-9,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide?
N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 103528166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).