3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane

C18H26N2O2 — CID 143345561

IUPAC3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane
SMILESCC.CC.CCc1ccc2c(c1)N(c1c(N)c(=O)c1=O)CC2
InChIInChI=1S/C14H14N2O2.2C2H6/c1-2-8-3-4-9-5-6-16(10(9)7-8)12-11(15)13(17)14(12)18;2*1-2/h3-4,7H,2,5-6,15H2,1H3;2*1-2H3
InChIKeyYMCHCUMSOHCFMW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.17
Rot. Bonds2

About 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane

3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane (PubChem CID 143345561) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane.

Molecular Properties

Compound Name3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane
PubChem CID143345561
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane
SMILESCC.CC.CCc1ccc2c(c1)N(c1c(N)c(=O)c1=O)CC2
InChIInChI=1S/C14H14N2O2.2C2H6/c1-2-8-3-4-9-5-6-16(10(9)7-8)12-11(15)13(17)14(12)18;2*1-2/h3-4,7H,2,5-6,15H2,1H3;2*1-2H3
InChIKeyYMCHCUMSOHCFMW-UHFFFAOYSA-N
XLogP3.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[6-(2-methylpropyl)-2,3-dihydroindol-1-yl]cyclobut-3-ene-1,2-dione
CID 59298507
3-amino-4-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)cyclobut-3-ene-1,2-dione;ethane
CID 143273134
3-[7-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-4-methylcyclobut-3-ene-1,2-dione
CID 59803004
3-[8-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-4-methylcyclobut-3-ene-1,2-dione
CID 59802949
3-amino-4-(7-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)cyclobut-3-ene-1,2-dione;3-amino-4-(8-ethyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl)cyclobut-3-ene-1,2-dione;ethane
CID 143679472
3-amino-4-(7-ethyl-4-oxo-1,3-dihydroisoquinolin-2-yl)cyclobut-3-ene-1,2-dione
CID 88577231
(1S)-1-[[6-[[1-(2-amino-3,4-dioxocyclobuten-1-yl)-2,3-dihydroindol-6-yl]methylcarbamoyl]pyrimidine-4-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 58686285
3-amino-4-[8-(aminomethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]cyclobut-3-ene-1,2-dione;5-methyl-4-oxo-3H-quinazoline-2-carboxylic acid;hydrochloride
CID 159803754
(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
CID 143345002
[2-(7-ethyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3,4-dioxocyclobuten-1-yl]azanium
CID 143587698
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
1-tert-butyl-5-ethyl-2,3-dihydroindole
CID 170202737

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane?
The IUPAC name of 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane (CID 143345561) is 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane.
What is the SMILES notation for 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane?
The canonical SMILES for 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane is CC.CC.CCc1ccc2c(c1)N(c1c(N)c(=O)c1=O)CC2.
What is the InChIKey of 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane?
The InChIKey is YMCHCUMSOHCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.2C2H6/c1-2-8-3-4-9-5-6-16(10(9)7-8)12-11(15)13(17)14(12)18;2*1-2/h3-4,7H,2,5-6,15H2,1H3;2*1-2H3.
What are the key properties of 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane?
3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane has a molecular weight of 302.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(6-ethyl-2,3-dihydroindol-1-yl)cyclobut-3-ene-1,2-dione;ethane is sourced from PubChem (CID 143345561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).