3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol

C16H22N2O — CID 102175723

IUPAC3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol
SMILESCC(C)=CCN1c2ccccc2C2(O)CCN(C)C12
InChIInChI=1S/C16H22N2O/c1-12(2)8-10-18-14-7-5-4-6-13(14)16(19)9-11-17(3)15(16)18/h4-8,15,19H,9-11H2,1-3H3
InChIKeyLPUUWLOQVWUACM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.32
Rot. Bonds2

About 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol

3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol (PubChem CID 102175723) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol
PubChem CID102175723
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol
SMILESCC(C)=CCN1c2ccccc2C2(O)CCN(C)C12
InChIInChI=1S/C16H22N2O/c1-12(2)8-10-18-14-7-5-4-6-13(14)16(19)9-11-17(3)15(16)18/h4-8,15,19H,9-11H2,1-3H3
InChIKeyLPUUWLOQVWUACM-UHFFFAOYSA-N
XLogP2.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-3-methyl-8b-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 44562321
(8bS)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 135031651
[1-[(3aS,8bR)-3-methyl-4-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydropyrrolo[2,3-b]indol-8b-yl]-3-methylbut-2-enyl] acetate
CID 23625119
1-[(3aS,8bS)-4,8b-bis(3-methylbut-2-enyl)-3aH-pyrrolo[2,3-b]indol-3-yl]ethanone
CID 11186742
(E)-4-[(3aR,8bS)-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-enal
CID 101173198
(3aR,8bS)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 11470216
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
(2-sulfanylidene-1-pyridinyl) (2S,3aR,8bR)-3-acetyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-2-carboxylate
CID 11317854
ethyl (8S,14S,15S)-8-hydroxy-14-methyl-1,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6,12-tetraene-13-carboxylate
CID 132520336
1-(3-methylbut-2-enyl)-3,4-dihydro-2H-quinolin-4-amine
CID 107899389
(4a-hydroxy-9-methyl-2,3,4,9a-tetrahydropyrido[2,3-b]indol-1-yl)-(2-fluorophenyl)methanone
CID 155550883
(E)-4-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-en-1-ol
CID 5326051

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol?
The IUPAC name of 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol (CID 102175723) is 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol.
What is the SMILES notation for 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol?
The canonical SMILES for 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol is CC(C)=CCN1c2ccccc2C2(O)CCN(C)C12.
What is the InChIKey of 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol?
The InChIKey is LPUUWLOQVWUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)8-10-18-14-7-5-4-6-13(14)16(19)9-11-17(3)15(16)18/h4-8,15,19H,9-11H2,1-3H3.
What are the key properties of 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol?
3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol has a molecular weight of 258.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol is sourced from PubChem (CID 102175723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).