tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate

C18H23NO5 — CID 10426942

IUPACtert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate
SMILESCOc1cc2c(c3c(C)coc13)[C@H](CO)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C18H23NO5/c1-10-9-23-16-13(22-5)6-12-15(14(10)16)11(8-20)7-19(12)17(21)24-18(2,3)4/h6,9,11,20H,7-8H2,1-5H3/t11-/m0/s1
InChIKeyUINWWXAUAMLGQZ-NSHDSACASA-N
MW333.38 g/mol
LogP3.58
Rot. Bonds2

About tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate

tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate (PubChem CID 10426942) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate
PubChem CID10426942
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nametert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate
SMILESCOc1cc2c(c3c(C)coc13)[C@H](CO)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C18H23NO5/c1-10-9-23-16-13(22-5)6-12-15(14(10)16)11(8-20)7-19(12)17(21)24-18(2,3)4/h6,9,11,20H,7-8H2,1-5H3/t11-/m0/s1
InChIKeyUINWWXAUAMLGQZ-NSHDSACASA-N
XLogP3.58
TPSA72.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate?
The IUPAC name of tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate (CID 10426942) is tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate.
What is the SMILES notation for tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate?
The canonical SMILES for tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate is COc1cc2c(c3c(C)coc13)[C@H](CO)CN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate?
The InChIKey is UINWWXAUAMLGQZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H23NO5/c1-10-9-23-16-13(22-5)6-12-15(14(10)16)11(8-20)7-19(12)17(21)24-18(2,3)4/h6,9,11,20H,7-8H2,1-5H3/t11-/m0/s1.
What are the key properties of tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate?
tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (8S)-8-(hydroxymethyl)-4-methoxy-1-methyl-7,8-dihydrofuro[3,2-e]indole-6-carboxylate is sourced from PubChem (CID 10426942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).