[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol

C17H21NO — CID 116996604

IUPAC[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol
SMILESOCC1(c2ccc3[nH]c4c(c3c2)CCCC4)CCC1
InChIInChI=1S/C17H21NO/c19-11-17(8-3-9-17)12-6-7-16-14(10-12)13-4-1-2-5-15(13)18-16/h6-7,10,18-19H,1-5,8-9,11H2
InChIKeyZAZHJLUEEUBKCA-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.46
Rot. Bonds2

About [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol

[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol (PubChem CID 116996604) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol
PubChem CID116996604
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol
SMILESOCC1(c2ccc3[nH]c4c(c3c2)CCCC4)CCC1
InChIInChI=1S/C17H21NO/c19-11-17(8-3-9-17)12-6-7-16-14(10-12)13-4-1-2-5-15(13)18-16/h6-7,10,18-19H,1-5,8-9,11H2
InChIKeyZAZHJLUEEUBKCA-UHFFFAOYSA-N
XLogP3.46
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclohexyl]methanamine
CID 117454052
1-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)cyclobutan-1-amine
CID 117325794
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763
[1-(8-methylnaphthalen-2-yl)cyclobutyl]methanol
CID 105484041
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
7-[1-(hydroxymethyl)cyclobutyl]naphthalen-1-ol
CID 105485591
2,3-dihydroxy-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 171871224
N'-hydroxy-1,2,3,4-tetrahydrocyclopenta[b]indole-7-carboximidamide
CID 141242413
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891

Frequently Asked Questions

What is the IUPAC name of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol?
The IUPAC name of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol (CID 116996604) is [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol.
What is the SMILES notation for [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol?
The canonical SMILES for [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol is OCC1(c2ccc3[nH]c4c(c3c2)CCCC4)CCC1.
What is the InChIKey of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol?
The InChIKey is ZAZHJLUEEUBKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-11-17(8-3-9-17)12-6-7-16-14(10-12)13-4-1-2-5-15(13)18-16/h6-7,10,18-19H,1-5,8-9,11H2.
What are the key properties of [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol?
[1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol has a molecular weight of 255.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)cyclobutyl]methanol is sourced from PubChem (CID 116996604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).