3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C17H24N2 — CID 44562320

IUPAC3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCC(C)=CCC12CCN(C)C1N(C)c1ccccc12
InChIInChI=1S/C17H24N2/c1-13(2)9-10-17-11-12-18(3)16(17)19(4)15-8-6-5-7-14(15)17/h5-9,16H,10-12H2,1-4H3
InChIKeyVVQNAOIMJGPEFR-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.39
Rot. Bonds2

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

3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 44562320) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID44562320
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCC(C)=CCC12CCN(C)C1N(C)c1ccccc12
InChIInChI=1S/C17H24N2/c1-13(2)9-10-17-11-12-18(3)16(17)19(4)15-8-6-5-7-14(15)17/h5-9,16H,10-12H2,1-4H3
InChIKeyVVQNAOIMJGPEFR-UHFFFAOYSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
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 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 44562320) is 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CC(C)=CCC12CCN(C)C1N(C)c1ccccc12.
What is the InChIKey of 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is VVQNAOIMJGPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)9-10-17-11-12-18(3)16(17)19(4)15-8-6-5-7-14(15)17/h5-9,16H,10-12H2,1-4H3.
What are the key properties of 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 256.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 44562320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).