(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole

C17H17NOS — CID 134953386

IUPAC(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole
SMILESC=C[C@@H](c1cccs1)[C@@]12CCO[C@@H]1Nc1ccccc12
InChIInChI=1S/C17H17NOS/c1-2-12(15-8-5-11-20-15)17-9-10-19-16(17)18-14-7-4-3-6-13(14)17/h2-8,11-12,16,18H,1,9-10H2/t12-,16-,17+/m0/s1
InChIKeyONIPBPNJBGEDLY-AFAVFJNCSA-N
MW283.40 g/mol
LogP4.13
Rot. Bonds3

About (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole

(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole (PubChem CID 134953386) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole.

Molecular Properties

Compound Name(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole
PubChem CID134953386
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole
SMILESC=C[C@@H](c1cccs1)[C@@]12CCO[C@@H]1Nc1ccccc12
InChIInChI=1S/C17H17NOS/c1-2-12(15-8-5-11-20-15)17-9-10-19-16(17)18-14-7-4-3-6-13(14)17/h2-8,11-12,16,18H,1,9-10H2/t12-,16-,17+/m0/s1
InChIKeyONIPBPNJBGEDLY-AFAVFJNCSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole?
The IUPAC name of (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole (CID 134953386) is (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole.
What is the SMILES notation for (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole?
The canonical SMILES for (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole is C=C[C@@H](c1cccs1)[C@@]12CCO[C@@H]1Nc1ccccc12.
What is the InChIKey of (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole?
The InChIKey is ONIPBPNJBGEDLY-AFAVFJNCSA-N. The full InChI is InChI=1S/C17H17NOS/c1-2-12(15-8-5-11-20-15)17-9-10-19-16(17)18-14-7-4-3-6-13(14)17/h2-8,11-12,16,18H,1,9-10H2/t12-,16-,17+/m0/s1.
What are the key properties of (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole?
(3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole has a molecular weight of 283.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-8b-[(1R)-1-thiophen-2-ylprop-2-enyl]-1,2,3a,4-tetrahydrofuro[2,3-b]indole is sourced from PubChem (CID 134953386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).