9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol

C20H19NO — CID 16434

IUPAC9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol
SMILESOC1(C#CCN2CCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO/c22-20(12-7-15-21-13-5-6-14-21)18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,22H,5-6,13-15H2
InChIKeyMLMPTZDLPRBMAN-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.00
Rot. Bonds1

About 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol

9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol (PubChem CID 16434) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol.

Molecular Properties

Compound Name9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol
PubChem CID16434
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol
SMILESOC1(C#CCN2CCCC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19NO/c22-20(12-7-15-21-13-5-6-14-21)18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,22H,5-6,13-15H2
InChIKeyMLMPTZDLPRBMAN-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol?
The IUPAC name of 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol (CID 16434) is 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol.
What is the SMILES notation for 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol?
The canonical SMILES for 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol is OC1(C#CCN2CCCC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol?
The InChIKey is MLMPTZDLPRBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c22-20(12-7-15-21-13-5-6-14-21)18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,22H,5-6,13-15H2.
What are the key properties of 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol?
9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol has a molecular weight of 289.38 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-pyrrolidin-1-ylprop-1-ynyl)fluoren-9-ol is sourced from PubChem (CID 16434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).