9H-carbazole;propane-1,1-diol

C15H17NO2 — CID 19846299

IUPAC9H-carbazole;propane-1,1-diol
SMILESCCC(O)O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C3H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;3-5H,2H2,1H3
InChIKeyJDJIYNOKYRBALR-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.03
Rot. Bonds1

About 9H-carbazole;propane-1,1-diol

9H-carbazole;propane-1,1-diol (PubChem CID 19846299) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 9H-carbazole;propane-1,1-diol.

Molecular Properties

Compound Name9H-carbazole;propane-1,1-diol
PubChem CID19846299
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name9H-carbazole;propane-1,1-diol
SMILESCCC(O)O.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C3H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;3-5H,2H2,1H3
InChIKeyJDJIYNOKYRBALR-UHFFFAOYSA-N
XLogP3.03
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(9H-carbazole);propane
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9H-carbazole;ethane
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9H-carbazole
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(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;propane-1,1-diol?
The IUPAC name of 9H-carbazole;propane-1,1-diol (CID 19846299) is 9H-carbazole;propane-1,1-diol.
What is the SMILES notation for 9H-carbazole;propane-1,1-diol?
The canonical SMILES for 9H-carbazole;propane-1,1-diol is CCC(O)O.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;propane-1,1-diol?
The InChIKey is JDJIYNOKYRBALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C3H8O2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-3(4)5/h1-8,13H;3-5H,2H2,1H3.
What are the key properties of 9H-carbazole;propane-1,1-diol?
9H-carbazole;propane-1,1-diol has a molecular weight of 243.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;propane-1,1-diol is sourced from PubChem (CID 19846299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).