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

C22H32N2O — CID 25053537

IUPAC7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(CC=C(C)C)CCN(C)C1N2CC=C(C)C
InChIInChI=1S/C22H32N2O/c1-16(2)9-11-22-12-14-23(5)21(22)24(13-10-17(3)4)20-8-7-18(25-6)15-19(20)22/h7-10,15,21H,11-14H2,1-6H3
InChIKeyONFAZZRKNWUZAY-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.74
Rot. Bonds5

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

7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 25053537) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID25053537
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(CC=C(C)C)CCN(C)C1N2CC=C(C)C
InChIInChI=1S/C22H32N2O/c1-16(2)9-11-22-12-14-23(5)21(22)24(13-10-17(3)4)20-8-7-18(25-6)15-19(20)22/h7-10,15,21H,11-14H2,1-6H3
InChIKeyONFAZZRKNWUZAY-UHFFFAOYSA-N
XLogP4.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.74
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 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 25053537) is 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is COc1ccc2c(c1)C1(CC=C(C)C)CCN(C)C1N2CC=C(C)C.
What is the InChIKey of 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is ONFAZZRKNWUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-16(2)9-11-22-12-14-23(5)21(22)24(13-10-17(3)4)20-8-7-18(25-6)15-19(20)22/h7-10,15,21H,11-14H2,1-6H3.
What are the key properties of 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 340.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 25053537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).