3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole

C18H19NO — CID 91493313

IUPAC3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
SMILESCC(C)=CCOc1cc(C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H19NO/c1-12(2)8-9-20-17-11-13(3)10-15-14-6-4-5-7-16(14)19-18(15)17/h4-8,10-11,19H,9H2,1-3H3
InChIKeyWCTSBONVEXNKRD-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.97
Rot. Bonds3

About 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole

3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole (PubChem CID 91493313) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole.

Molecular Properties

Compound Name3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
PubChem CID91493313
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole
SMILESCC(C)=CCOc1cc(C)cc2c1[nH]c1ccccc12
InChIInChI=1S/C18H19NO/c1-12(2)8-9-20-17-11-13(3)10-15-14-6-4-5-7-16(14)19-18(15)17/h4-8,10-11,19H,9H2,1-3H3
InChIKeyWCTSBONVEXNKRD-UHFFFAOYSA-N
XLogP4.97
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-9H-pyrido[3,4-b]indole
CID 163409626
2-methyl-6-(3-methylbut-2-enoxy)aniline
CID 107899463
3-(hydroxymethyl)-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol
CID 134816367
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]-3-[(1-methoxy-3-methylcarbazol-9-yl)methyl]carbazole
CID 102015823
[5-methyl-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 63322907
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
1-methoxy-9-(1-methoxy-9H-carbazol-3-yl)-3-methylcarbazole
CID 14634645
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250
2-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]ethanamine
CID 63325800
5-methyl-11H-benzo[a]carbazole
CID 6454977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole?
The IUPAC name of 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole (CID 91493313) is 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole.
What is the SMILES notation for 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole?
The canonical SMILES for 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole is CC(C)=CCOc1cc(C)cc2c1[nH]c1ccccc12.
What is the InChIKey of 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole?
The InChIKey is WCTSBONVEXNKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12(2)8-9-20-17-11-13(3)10-15-14-6-4-5-7-16(14)19-18(15)17/h4-8,10-11,19H,9H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole?
3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole has a molecular weight of 265.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylbut-2-enoxy)-9H-carbazole is sourced from PubChem (CID 91493313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).