methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

C15H18N2O3 — CID 59274200

IUPACmethyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
SMILESCC[C@@H]1CNc2cc(O)c3[nH]c(C)c(C(=O)OC)c3c21
InChIInChI=1S/C15H18N2O3/c1-4-8-6-16-9-5-10(18)14-13(12(8)9)11(7(2)17-14)15(19)20-3/h5,8,16-18H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyWNXCOOKGNPHEMQ-MRVPVSSYSA-N
MW274.32 g/mol
LogP2.89
Rot. Bonds2

About methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate (PubChem CID 59274200) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
PubChem CID59274200
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate
SMILESCC[C@@H]1CNc2cc(O)c3[nH]c(C)c(C(=O)OC)c3c21
InChIInChI=1S/C15H18N2O3/c1-4-8-6-16-9-5-10(18)14-13(12(8)9)11(7(2)17-14)15(19)20-3/h5,8,16-18H,4,6H2,1-3H3/t8-/m1/s1
InChIKeyWNXCOOKGNPHEMQ-MRVPVSSYSA-N
XLogP2.89
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
The IUPAC name of methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate (CID 59274200) is methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate.
What is the SMILES notation for methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
The canonical SMILES for methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate is CC[C@@H]1CNc2cc(O)c3[nH]c(C)c(C(=O)OC)c3c21.
What is the InChIKey of methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
The InChIKey is WNXCOOKGNPHEMQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-8-6-16-9-5-10(18)14-13(12(8)9)11(7(2)17-14)15(19)20-3/h5,8,16-18H,4,6H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate?
methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8S)-8-ethyl-4-hydroxy-2-methyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate is sourced from PubChem (CID 59274200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).