(3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C21H30N2 — CID 10403152

IUPAC(3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CCN(C)[C@H]12
InChIInChI=1S/C21H30N2/c1-16(2)10-12-21-13-15-22(5)20(21)23(14-11-17(3)4)19-9-7-6-8-18(19)21/h6-11,20H,12-15H2,1-5H3/t20-,21+/m1/s1
InChIKeyNUWYFFDZPIGJJO-RTWAWAEBSA-N
MW310.49 g/mol
LogP4.73
Rot. Bonds4

About (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

(3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 10403152) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID10403152
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name(3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CCN(C)[C@H]12
InChIInChI=1S/C21H30N2/c1-16(2)10-12-21-13-15-22(5)20(21)23(14-11-17(3)4)19-9-7-6-8-18(19)21/h6-11,20H,12-15H2,1-5H3/t20-,21+/m1/s1
InChIKeyNUWYFFDZPIGJJO-RTWAWAEBSA-N
XLogP4.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,3-Trimethyl-2-methyleneindoline
CID 8351
Chimonanthine
CID 3083909
(-)-Chimonanthine
CID 599086
Folicanthine
CID 604246
demethyldebromoflustramine B
CID 11173982
Calycanthidine
CID 599113
N,N-diethyl-1-indolinecarboxamide
CID 2987329
(+/-)-debromoflustramine B
CID 496015
(+)-Chimonanthine
CID 442058
dihydroflustramine C
CID 185307
Selaginellic acid
CID 44179506
Meso-chimonanthine
CID 11727714

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 10403152) is (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CCN(C)[C@H]12.
What is the InChIKey of (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is NUWYFFDZPIGJJO-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H30N2/c1-16(2)10-12-21-13-15-22(5)20(21)23(14-11-17(3)4)19-9-7-6-8-18(19)21/h6-11,20H,12-15H2,1-5H3/t20-,21+/m1/s1.
What are the key properties of (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
(3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 310.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 10403152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).