(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten

C14H17N2O4W- — CID 59879078

IUPAC(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten
SMILESCCOC(=O)n1cc(C([NH-])=O)c2c1CC(C)(C)CC2=O.[W]
InChIInChI=1S/C14H18N2O4.W/c1-4-20-13(19)16-7-8(12(15)18)11-9(16)5-14(2,3)6-10(11)17;/h7H,4-6H2,1-3H3,(H2,15,18);/p-1
InChIKeyXFCUNQNHRPRCPN-UHFFFAOYSA-M
MW461.14 g/mol
LogP2.84
Rot. Bonds2

About (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten

(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten (PubChem CID 59879078) has the molecular formula C14H17N2O4W- and a molecular weight of 461.14 g/mol. Its IUPAC name is (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten.

Molecular Properties

Compound Name(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten
PubChem CID59879078
Molecular FormulaC14H17N2O4W-
Molecular Weight461.14 g/mol
Exact Mass461.07
IUPAC Name(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten
SMILESCCOC(=O)n1cc(C([NH-])=O)c2c1CC(C)(C)CC2=O.[W]
InChIInChI=1S/C14H18N2O4.W/c1-4-20-13(19)16-7-8(12(15)18)11-9(16)5-14(2,3)6-10(11)17;/h7H,4-6H2,1-3H3,(H2,15,18);/p-1
InChIKeyXFCUNQNHRPRCPN-UHFFFAOYSA-M
XLogP2.84
TPSA89.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.14
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten 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

tert-butyl 6,6-dimethyl-4-oxo-3-(trimethylsilylmethyl)-5,7-dihydroindole-1-carboxylate
CID 102062915
ethyl 2-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzoate
CID 118711128
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706
argon;6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-3-carboxamide
CID 161286279
2-(3-methoxypropyl)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 58139456
2-(2,6,6-trimethyl-4-oxo-1-phenyl-5,7-dihydroindol-3-yl)acetic acid
CID 5298292
ethyl 2,4-dimethylpyrrole-1-carboxylate
CID 131861275
N-butyl-2-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)acetamide
CID 54613716
ethyl 2-[3-(4-bromo-2-chlorosulfonylphenyl)sulfanyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl]acetate
CID 58564153
2-[3-(2-ethoxyethoxy)propylamino]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 162785596
methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate
CID 15669877
ethyl 4,7,7-trimethyl-5-oxo-2-propan-2-yl-6,8-dihydroquinoline-3-carboxylate
CID 71267931

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten?
The IUPAC name of (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten (CID 59879078) is (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten.
What is the SMILES notation for (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten?
The canonical SMILES for (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten is CCOC(=O)n1cc(C([NH-])=O)c2c1CC(C)(C)CC2=O.[W].
What is the InChIKey of (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten?
The InChIKey is XFCUNQNHRPRCPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O4.W/c1-4-20-13(19)16-7-8(12(15)18)11-9(16)5-14(2,3)6-10(11)17;/h7H,4-6H2,1-3H3,(H2,15,18);/p-1.
What are the key properties of (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten?
(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten has a molecular weight of 461.14 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten is sourced from PubChem (CID 59879078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).