N-[4-(1H-indol-7-yl)but-3-enyl]acetamide

C14H16N2O — CID 170488819

IUPACN-[4-(1H-indol-7-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc2cc[nH]c12
InChIInChI=1S/C14H16N2O/c1-11(17)15-9-3-2-5-12-6-4-7-13-8-10-16-14(12)13/h2,4-8,10,16H,3,9H2,1H3,(H,15,17)
InChIKeyFOKZEWVZJPRKMF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(1H-indol-7-yl)but-3-enyl]acetamide

N-[4-(1H-indol-7-yl)but-3-enyl]acetamide (PubChem CID 170488819) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[4-(1H-indol-7-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-indol-7-yl)but-3-enyl]acetamide
PubChem CID170488819
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[4-(1H-indol-7-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc2cc[nH]c12
InChIInChI=1S/C14H16N2O/c1-11(17)15-9-3-2-5-12-6-4-7-13-8-10-16-14(12)13/h2,4-8,10,16H,3,9H2,1H3,(H,15,17)
InChIKeyFOKZEWVZJPRKMF-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

4-(1H-indol-7-yl)but-3-en-2-one
CID 68785878
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
4-(1H-indol-7-yl)but-3-enal
CID 170482005
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817
N-[4-(1H-indol-6-yl)but-3-enyl]acetamide
CID 170488820
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
CID 170488443
2-[2-(4-acetamidobut-1-enyl)phenyl]acetic acid
CID 170488957
3-(4-acetamidobut-1-enyl)-2-methylbenzoic acid
CID 170488958
N-[4-(2-methoxyphenyl)but-3-enyl]acetamide
CID 170488272
N-[4-(2,3-dioxo-1H-indol-7-yl)but-3-enyl]acetamide
CID 170489428
N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide
CID 170489434

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-7-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(1H-indol-7-yl)but-3-enyl]acetamide (CID 170488819) is N-[4-(1H-indol-7-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(1H-indol-7-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(1H-indol-7-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cccc2cc[nH]c12.
What is the InChIKey of N-[4-(1H-indol-7-yl)but-3-enyl]acetamide?
The InChIKey is FOKZEWVZJPRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(17)15-9-3-2-5-12-6-4-7-13-8-10-16-14(12)13/h2,4-8,10,16H,3,9H2,1H3,(H,15,17).
What are the key properties of N-[4-(1H-indol-7-yl)but-3-enyl]acetamide?
N-[4-(1H-indol-7-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-7-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).