(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol

C26H30N2O2 — CID 11538636

IUPAC(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol
SMILESC=CCN1c2ccccc2[C@]2(C)O[C@]3(C[C@]12C)N(CC=C)c1ccccc1[C@]3(C)O
InChIInChI=1S/C26H30N2O2/c1-6-16-27-22-15-11-9-13-20(22)25(5)23(27,3)18-26(30-25)24(4,29)19-12-8-10-14-21(19)28(26)17-7-2/h6-15,29H,1-2,16-18H2,3-5H3/t23-,24-,25-,26-/m0/s1
InChIKeyXTUDPTNRWRUDJP-CQJMVLFOSA-N
MW402.54 g/mol
LogP4.70
Rot. Bonds4

About (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol

(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol (PubChem CID 11538636) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol.

Molecular Properties

Compound Name(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol
PubChem CID11538636
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol
SMILESC=CCN1c2ccccc2[C@]2(C)O[C@]3(C[C@]12C)N(CC=C)c1ccccc1[C@]3(C)O
InChIInChI=1S/C26H30N2O2/c1-6-16-27-22-15-11-9-13-20(22)25(5)23(27,3)18-26(30-25)24(4,29)19-12-8-10-14-21(19)28(26)17-7-2/h6-15,29H,1-2,16-18H2,3-5H3/t23-,24-,25-,26-/m0/s1
InChIKeyXTUDPTNRWRUDJP-CQJMVLFOSA-N
XLogP4.70
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol?
The IUPAC name of (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol (CID 11538636) is (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol.
What is the SMILES notation for (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol?
The canonical SMILES for (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol is C=CCN1c2ccccc2[C@]2(C)O[C@]3(C[C@]12C)N(CC=C)c1ccccc1[C@]3(C)O.
What is the InChIKey of (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol?
The InChIKey is XTUDPTNRWRUDJP-CQJMVLFOSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-6-16-27-22-15-11-9-13-20(22)25(5)23(27,3)18-26(30-25)24(4,29)19-12-8-10-14-21(19)28(26)17-7-2/h6-15,29H,1-2,16-18H2,3-5H3/t23-,24-,25-,26-/m0/s1.
What are the key properties of (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol?
(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol has a molecular weight of 402.54 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol is sourced from PubChem (CID 11538636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).