N-[4-(1H-indol-5-yl)but-3-enyl]acetamide

C14H16N2O — CID 170488817

IUPACN-[4-(1H-indol-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O/c1-11(17)15-8-3-2-4-12-5-6-14-13(10-12)7-9-16-14/h2,4-7,9-10,16H,3,8H2,1H3,(H,15,17)
InChIKeyGQAROECVFJSNSL-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(1H-indol-5-yl)but-3-enyl]acetamide

N-[4-(1H-indol-5-yl)but-3-enyl]acetamide (PubChem CID 170488817) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[4-(1H-indol-5-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-indol-5-yl)but-3-enyl]acetamide
PubChem CID170488817
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[4-(1H-indol-5-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N2O/c1-11(17)15-8-3-2-4-12-5-6-14-13(10-12)7-9-16-14/h2,4-7,9-10,16H,3,8H2,1H3,(H,15,17)
InChIKeyGQAROECVFJSNSL-UHFFFAOYSA-N
XLogP2.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
benzyl N-[4-(1H-indol-5-yl)but-3-enyl]carbamate
CID 170494186
5-(4-bromobut-1-enyl)-1H-indole
CID 170497591
4-(1H-indol-5-yl)but-3-en-1-amine
CID 170487084
N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
CID 170489391
S-[3-(1H-indol-5-yl)prop-2-enyl] ethanethioate
CID 169457351
methyl 6-(4-acetamidobut-1-enyl)-1H-indole-2-carboxylate
CID 170489634
N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
methyl 5-(4-acetamidobut-1-enyl)-1H-indole-3-carboxylate
CID 170489633
N-[4-(1H-indol-7-yl)but-3-enyl]acetamide
CID 170488819
6-(4-acetamidobut-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170489669

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-5-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(1H-indol-5-yl)but-3-enyl]acetamide (CID 170488817) is N-[4-(1H-indol-5-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(1H-indol-5-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(1H-indol-5-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-(1H-indol-5-yl)but-3-enyl]acetamide?
The InChIKey is GQAROECVFJSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(17)15-8-3-2-4-12-5-6-14-13(10-12)7-9-16-14/h2,4-7,9-10,16H,3,8H2,1H3,(H,15,17).
What are the key properties of N-[4-(1H-indol-5-yl)but-3-enyl]acetamide?
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-5-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).