methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate

C12H13NO3 — CID 102498665

IUPACmethyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate
SMILESCOC(=O)N1c2ccccc2[C@H]2CCO[C@H]21
InChIInChI=1S/C12H13NO3/c1-15-12(14)13-10-5-3-2-4-8(10)9-6-7-16-11(9)13/h2-5,9,11H,6-7H2,1H3/t9-,11-/m1/s1
InChIKeyUMESTRMGLXBLSS-MWLCHTKSSA-N
MW219.24 g/mol
LogP2.10
Rot. Bonds

About methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate

methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate (PubChem CID 102498665) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate
PubChem CID102498665
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namemethyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate
SMILESCOC(=O)N1c2ccccc2[C@H]2CCO[C@H]21
InChIInChI=1S/C12H13NO3/c1-15-12(14)13-10-5-3-2-4-8(10)9-6-7-16-11(9)13/h2-5,9,11H,6-7H2,1H3/t9-,11-/m1/s1
InChIKeyUMESTRMGLXBLSS-MWLCHTKSSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate?
The IUPAC name of methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate (CID 102498665) is methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate.
What is the SMILES notation for methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate?
The canonical SMILES for methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate is COC(=O)N1c2ccccc2[C@H]2CCO[C@H]21.
What is the InChIKey of methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate?
The InChIKey is UMESTRMGLXBLSS-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-12(14)13-10-5-3-2-4-8(10)9-6-7-16-11(9)13/h2-5,9,11H,6-7H2,1H3/t9-,11-/m1/s1.
What are the key properties of methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate?
methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate is sourced from PubChem (CID 102498665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).