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

C18H24N2O2 — CID 143342382

IUPAC(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione
SMILESCCc1ccc2c(c1)N(/C(=C\N)C(=O)C(C)=O)CC2(C)CC
InChIInChI=1S/C18H24N2O2/c1-5-13-7-8-14-15(9-13)20(11-18(14,4)6-2)16(10-19)17(22)12(3)21/h7-10H,5-6,11,19H2,1-4H3/b16-10-
InChIKeySVRLXQMHUAAURH-YBEGLDIGSA-N
MW300.40 g/mol
LogP2.69
Rot. Bonds5

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

(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione (PubChem CID 143342382) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 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.

Molecular Properties

Compound Name(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione
PubChem CID143342382
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione
SMILESCCc1ccc2c(c1)N(/C(=C\N)C(=O)C(C)=O)CC2(C)CC
InChIInChI=1S/C18H24N2O2/c1-5-13-7-8-14-15(9-13)20(11-18(14,4)6-2)16(10-19)17(22)12(3)21/h7-10H,5-6,11,19H2,1-4H3/b16-10-
InChIKeySVRLXQMHUAAURH-YBEGLDIGSA-N
XLogP2.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.69
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'}

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

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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;ethane
CID 143342381
(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
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
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-(6-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82142563
(Z)-3-amino-4-(6-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)hex-3-ene-2,5-dione;ethane
CID 143588155
3,5-diethyl-3-methyl-1,2-dihydroindole
CID 165441920
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145

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?
The IUPAC name of (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione (CID 143342382) is (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione.
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?
The canonical SMILES for (Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione is 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?
The InChIKey is SVRLXQMHUAAURH-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-13-7-8-14-15(9-13)20(11-18(14,4)6-2)16(10-19)17(22)12(3)21/h7-10H,5-6,11,19H2,1-4H3/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?
(Z)-5-amino-4-(3,6-diethyl-3-methyl-2H-indol-1-yl)pent-4-ene-2,3-dione has a molecular weight of 300.40 g/mol, XLogP of 2.69, 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 is sourced from PubChem (CID 143342382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).