ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate

C19H19NO3 — CID 56644234

IUPACethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESC=C(C)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1
InChIInChI=1S/C19H19NO3/c1-4-22-19(21)18-15-9-8-14(23-12-13(2)3)11-17(15)20-10-6-5-7-16(18)20/h5-11H,2,4,12H2,1,3H3
InChIKeyRWGXVBKGXKGRNT-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.22
Rot. Bonds5

About ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate

ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate (PubChem CID 56644234) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
PubChem CID56644234
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
SMILESC=C(C)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1
InChIInChI=1S/C19H19NO3/c1-4-22-19(21)18-15-9-8-14(23-12-13(2)3)11-17(15)20-10-6-5-7-16(18)20/h5-11H,2,4,12H2,1,3H3
InChIKeyRWGXVBKGXKGRNT-UHFFFAOYSA-N
XLogP4.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate (CID 56644234) is ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate is C=C(C)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1.
What is the InChIKey of ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is RWGXVBKGXKGRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-22-19(21)18-15-9-8-14(23-12-13(2)3)11-17(15)20-10-6-5-7-16(18)20/h5-11H,2,4,12H2,1,3H3.
What are the key properties of ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate?
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 56644234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).