ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate

C18H29NO3 — CID 165142730

IUPACethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate
SMILESC.C=CO.COC(=O)c1ccc2c(c1)N(CC(C)(C)C)CC2
InChIInChI=1S/C15H21NO2.C2H4O.CH4/c1-15(2,3)10-16-8-7-11-5-6-12(9-13(11)16)14(17)18-4;1-2-3;/h5-6,9H,7-8,10H2,1-4H3;2-3H,1H2;1H4
InChIKeyNLLPPEBTZWQTEF-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.21
Rot. Bonds2

About ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate

ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate (PubChem CID 165142730) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Nameethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate
PubChem CID165142730
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Nameethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate
SMILESC.C=CO.COC(=O)c1ccc2c(c1)N(CC(C)(C)C)CC2
InChIInChI=1S/C15H21NO2.C2H4O.CH4/c1-15(2,3)10-16-8-7-11-5-6-12(9-13(11)16)14(17)18-4;1-2-3;/h5-6,9H,7-8,10H2,1-4H3;2-3H,1H2;1H4
InChIKeyNLLPPEBTZWQTEF-UHFFFAOYSA-N
XLogP4.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate?
The IUPAC name of ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate (CID 165142730) is ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate.
What is the SMILES notation for ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate?
The canonical SMILES for ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate is C.C=CO.COC(=O)c1ccc2c(c1)N(CC(C)(C)C)CC2.
What is the InChIKey of ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate?
The InChIKey is NLLPPEBTZWQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C2H4O.CH4/c1-15(2,3)10-16-8-7-11-5-6-12(9-13(11)16)14(17)18-4;1-2-3;/h5-6,9H,7-8,10H2,1-4H3;2-3H,1H2;1H4.
What are the key properties of ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate?
ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate has a molecular weight of 307.43 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;methane;methyl 1-(2,2-dimethylpropyl)-2,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 165142730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).