(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane

C20H30N2O2 — CID 143342381

IUPAC(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane
SMILESCC.CCc1ccc2c(c1)N(/C(=C\N)C(=O)C(C)=O)CC2(C)CC
InChIInChI=1S/C18H24N2O2.C2H6/c1-5-13-7-8-14-15(9-13)20(11-18(14,4)6-2)16(10-19)17(22)12(3)21;1-2/h7-10H,5-6,11,19H2,1-4H3;1-2H3/b16-10-;
InChIKeyIVDCCXMXUZIWIG-HYMQDMCPSA-N
MW330.47 g/mol
LogP3.72
Rot. Bonds5

About (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane

(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane (PubChem CID 143342381) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane.

Molecular Properties

Compound Name(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane
PubChem CID143342381
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane
SMILESCC.CCc1ccc2c(c1)N(/C(=C\N)C(=O)C(C)=O)CC2(C)CC
InChIInChI=1S/C18H24N2O2.C2H6/c1-5-13-7-8-14-15(9-13)20(11-18(14,4)6-2)16(10-19)17(22)12(3)21;1-2/h7-10H,5-6,11,19H2,1-4H3;1-2H3/b16-10-;
InChIKeyIVDCCXMXUZIWIG-HYMQDMCPSA-N
XLogP3.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione
CID 143342382
(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
CID 143345002
(Z)-4-amino-5-(5-ethyl-1,3-dihydroisoindol-2-yl)hex-4-ene-2,3-dione
CID 143347219
(3,4-difluorophenyl)-(3-ethyl-5-fluoro-3-methyl-2H-indol-1-yl)methanone
CID 143074262
(Z)-3-amino-4-(6-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)hex-3-ene-2,5-dione;ethane
CID 143588155
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one
CID 159500638
1-(7-ethyl-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 138536083
ethane;1-[4-(4-ethyl-2-fluorophenyl)-2,2-dimethylpiperazin-1-yl]ethanone
CID 176692915
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-(6-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82142563
ethane;(E)-2-(7-ethyl-2H-quinolin-1-yl)-4-oxopent-2-enal
CID 143342370

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane?
The IUPAC name of (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane (CID 143342381) is (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane.
What is the SMILES notation for (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane?
The canonical SMILES for (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane is CC.CCc1ccc2c(c1)N(/C(=C\N)C(=O)C(C)=O)CC2(C)CC.
What is the InChIKey of (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane?
The InChIKey is IVDCCXMXUZIWIG-HYMQDMCPSA-N. The full InChI is InChI=1S/C18H24N2O2.C2H6/c1-5-13-7-8-14-15(9-13)20(11-18(14,4)6-2)16(10-19)17(22)12(3)21;1-2/h7-10H,5-6,11,19H2,1-4H3;1-2H3/b16-10-;.
What are the key properties of (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane?
(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane has a molecular weight of 330.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione;ethane is sourced from PubChem (CID 143342381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).