3-(9H-fluoren-9-yl)-1-nonylpyrrolidine

C26H35N — CID 171349208

IUPAC3-(9H-fluoren-9-yl)-1-nonylpyrrolidine
SMILESCCCCCCCCCN1CCC(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H35N/c1-2-3-4-5-6-7-12-18-27-19-17-21(20-27)26-24-15-10-8-13-22(24)23-14-9-11-16-25(23)26/h8-11,13-16,21,26H,2-7,12,17-20H2,1H3
InChIKeyFPKYCZQZIIVYBV-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.87
Rot. Bonds9

About 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine

3-(9H-fluoren-9-yl)-1-nonylpyrrolidine (PubChem CID 171349208) has the molecular formula C26H35N and a molecular weight of 361.57 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-1-nonylpyrrolidine
PubChem CID171349208
Molecular FormulaC26H35N
Molecular Weight361.57 g/mol
Exact Mass361.28
IUPAC Name3-(9H-fluoren-9-yl)-1-nonylpyrrolidine
SMILESCCCCCCCCCN1CCC(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H35N/c1-2-3-4-5-6-7-12-18-27-19-17-21(20-27)26-24-15-10-8-13-22(24)23-14-9-11-16-25(23)26/h8-11,13-16,21,26H,2-7,12,17-20H2,1H3
InChIKeyFPKYCZQZIIVYBV-UHFFFAOYSA-N
XLogP6.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine?
The IUPAC name of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine (CID 171349208) is 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine?
The canonical SMILES for 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine is CCCCCCCCCN1CCC(C2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine?
The InChIKey is FPKYCZQZIIVYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N/c1-2-3-4-5-6-7-12-18-27-19-17-21(20-27)26-24-15-10-8-13-22(24)23-14-9-11-16-25(23)26/h8-11,13-16,21,26H,2-7,12,17-20H2,1H3.
What are the key properties of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine?
3-(9H-fluoren-9-yl)-1-nonylpyrrolidine has a molecular weight of 361.57 g/mol, XLogP of 6.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-1-nonylpyrrolidine is sourced from PubChem (CID 171349208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).