N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide

C14H14N2O3 — CID 170489434

IUPACN-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc2c1C(=O)C(=O)N2
InChIInChI=1S/C14H14N2O3/c1-9(17)15-8-3-2-5-10-6-4-7-11-12(10)13(18)14(19)16-11/h2,4-7H,3,8H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyVLIPVRJLFYULBT-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.36
Rot. Bonds4

About N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide

N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide (PubChem CID 170489434) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide
PubChem CID170489434
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cccc2c1C(=O)C(=O)N2
InChIInChI=1S/C14H14N2O3/c1-9(17)15-8-3-2-5-10-6-4-7-11-12(10)13(18)14(19)16-11/h2,4-7H,3,8H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyVLIPVRJLFYULBT-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,3-dioxo-1H-indol-7-yl)but-3-enyl]acetamide
CID 170489428
N-(4-dibenzofuran-4-ylbut-3-enyl)acetamide
CID 170489640
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(3-amino-2-hydroxyphenyl)but-3-enyl]acetamide
CID 170488443
N-[4-(1H-indol-7-yl)but-3-enyl]acetamide
CID 170488819
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-(methylsulfonylmethyl)phenyl]but-3-enyl]acetamide
CID 170489195
N-(4-quinolin-8-ylbut-3-enyl)acetamide
CID 170488863
N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489174
N-[4-[2-(1,3-dioxolan-2-yl)phenyl]but-3-enyl]acetamide
CID 170489382

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide (CID 170489434) is N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cccc2c1C(=O)C(=O)N2.
What is the InChIKey of N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide?
The InChIKey is VLIPVRJLFYULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)15-8-3-2-5-10-6-4-7-11-12(10)13(18)14(19)16-11/h2,4-7H,3,8H2,1H3,(H,15,17)(H,16,18,19).
What are the key properties of N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide?
N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dioxo-1H-indol-4-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170489434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).