4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C24H30N2O — CID 25053538

IUPAC4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(CC=C(C)C)CCN(C)C1N2Cc1ccccc1
InChIInChI=1S/C24H30N2O/c1-18(2)12-13-24-14-15-25(3)23(24)26(17-19-8-6-5-7-9-19)22-11-10-20(27-4)16-21(22)24/h5-12,16,23H,13-15,17H2,1-4H3
InChIKeyJPVMUILNRYSVCX-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.97
Rot. Bonds5

About 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 25053538) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID25053538
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(CC=C(C)C)CCN(C)C1N2Cc1ccccc1
InChIInChI=1S/C24H30N2O/c1-18(2)12-13-24-14-15-25(3)23(24)26(17-19-8-6-5-7-9-19)22-11-10-20(27-4)16-21(22)24/h5-12,16,23H,13-15,17H2,1-4H3
InChIKeyJPVMUILNRYSVCX-UHFFFAOYSA-N
XLogP4.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 25053538) is 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is COc1ccc2c(c1)C1(CC=C(C)C)CCN(C)C1N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is JPVMUILNRYSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-18(2)12-13-24-14-15-25(3)23(24)26(17-19-8-6-5-7-9-19)22-11-10-20(27-4)16-21(22)24/h5-12,16,23H,13-15,17H2,1-4H3.
What are the key properties of 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 362.52 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-methoxy-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 25053538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).