4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole

C20H28N2 — CID 11173982

IUPAC4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
SMILESCC(C)=CCN1c2ccccc2C2(CC=C(C)C)CCNC12
InChIInChI=1S/C20H28N2/c1-15(2)9-11-20-12-13-21-19(20)22(14-10-16(3)4)18-8-6-5-7-17(18)20/h5-10,19,21H,11-14H2,1-4H3
InChIKeyTWRZIFGLJFJQJK-UHFFFAOYSA-N
MW296.46 g/mol
LogP4.39
Rot. Bonds4

About 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole

4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole (PubChem CID 11173982) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
PubChem CID11173982
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
SMILESCC(C)=CCN1c2ccccc2C2(CC=C(C)C)CCNC12
InChIInChI=1S/C20H28N2/c1-15(2)9-11-20-12-13-21-19(20)22(14-10-16(3)4)18-8-6-5-7-17(18)20/h5-10,19,21H,11-14H2,1-4H3
InChIKeyTWRZIFGLJFJQJK-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
The IUPAC name of 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole (CID 11173982) is 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole.
What is the SMILES notation for 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
The canonical SMILES for 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole is CC(C)=CCN1c2ccccc2C2(CC=C(C)C)CCNC12.
What is the InChIKey of 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
The InChIKey is TWRZIFGLJFJQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-15(2)9-11-20-12-13-21-19(20)22(14-10-16(3)4)18-8-6-5-7-17(18)20/h5-10,19,21H,11-14H2,1-4H3.
What are the key properties of 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole?
4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole has a molecular weight of 296.46 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8b-bis(3-methylbut-2-enyl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole is sourced from PubChem (CID 11173982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).