ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione

C21H31NO3 — CID 143558831

IUPACethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione
SMILESC=C(C)c1ccc2c(c1)C(=O)C(=O)N2.CC.CC.CCc1ccco1.[H][H]
InChIInChI=1S/C11H9NO2.C6H8O.2C2H6.H2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9;1-2-6-4-3-5-7-6;2*1-2;/h3-5H,1H2,2H3,(H,12,13,14);3-5H,2H2,1H3;2*1-2H3;1H
InChIKeySENPZLWQKUMVQD-UHFFFAOYSA-N
MW345.48 g/mol
LogP5.99
Rot. Bonds2

About ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione

ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione (PubChem CID 143558831) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione.

Molecular Properties

Compound Nameethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione
PubChem CID143558831
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Nameethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione
SMILESC=C(C)c1ccc2c(c1)C(=O)C(=O)N2.CC.CC.CCc1ccco1.[H][H]
InChIInChI=1S/C11H9NO2.C6H8O.2C2H6.H2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9;1-2-6-4-3-5-7-6;2*1-2;/h3-5H,1H2,2H3,(H,12,13,14);3-5H,2H2,1H3;2*1-2H3;1H
InChIKeySENPZLWQKUMVQD-UHFFFAOYSA-N
XLogP5.99
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione 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

2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
5-chloro-6-(furan-2-ylmethylsulfanyl)-1H-indole-2,3-dione
CID 79336719
2-[4-(carboxymethyl)-5-hydroxy-2-methylphenyl]acetic acid;2,3-dioxo-1H-indole-5-carboxylic acid
CID 158902118
N-(furan-2-ylmethyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-carboxamide
CID 91946269
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
N-(furan-2-ylmethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24615704
2-chloro-4-(2,3-dioxo-1H-indole-5-carbonyl)benzamide
CID 11359389
(2S)-2-amino-3-(2,3-dioxo-1H-indol-5-yl)propanoic acid
CID 11651578
5-(2,3-dichlorophenyl)-1H-indole-2,3-dione
CID 74982377
3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
CID 16768769
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione?
The IUPAC name of ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione (CID 143558831) is ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione.
What is the SMILES notation for ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione?
The canonical SMILES for ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione is C=C(C)c1ccc2c(c1)C(=O)C(=O)N2.CC.CC.CCc1ccco1.[H][H].
What is the InChIKey of ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione?
The InChIKey is SENPZLWQKUMVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2.C6H8O.2C2H6.H2/c1-6(2)7-3-4-9-8(5-7)10(13)11(14)12-9;1-2-6-4-3-5-7-6;2*1-2;/h3-5H,1H2,2H3,(H,12,13,14);3-5H,2H2,1H3;2*1-2H3;1H.
What are the key properties of ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione?
ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione has a molecular weight of 345.48 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylfuran;molecular hydrogen;5-prop-1-en-2-yl-1H-indole-2,3-dione is sourced from PubChem (CID 143558831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).