3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol

C18H19NO — CID 5209

IUPAC3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILESCC(C)=CCc1c(O)c(C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3
InChIKeyPURITTXNCHNYEP-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.84
Rot. Bonds2

About 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol

3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol (PubChem CID 5209) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
PubChem CID5209
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
SMILESCC(C)=CCc1c(O)c(C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3
InChIKeyPURITTXNCHNYEP-UHFFFAOYSA-N
XLogP4.84
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol (CID 5209) is 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol is CC(C)=CCc1c(O)c(C)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
The InChIKey is PURITTXNCHNYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol?
3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol has a molecular weight of 265.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol is sourced from PubChem (CID 5209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).