3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one

C26H33NO — CID 171354792

IUPAC3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one
SMILESCCCCCCCCCN1CCC(C2c3ccccc3-c3ccccc32)C1=O
InChIInChI=1S/C26H33NO/c1-2-3-4-5-6-7-12-18-27-19-17-24(26(27)28)25-22-15-10-8-13-20(22)21-14-9-11-16-23(21)25/h8-11,13-16,24-25H,2-7,12,17-19H2,1H3
InChIKeyURKGUMVYXFJYAA-UHFFFAOYSA-N
MW375.56 g/mol
LogP6.40
Rot. Bonds9

About 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one

3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one (PubChem CID 171354792) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one
PubChem CID171354792
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC Name3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one
SMILESCCCCCCCCCN1CCC(C2c3ccccc3-c3ccccc32)C1=O
InChIInChI=1S/C26H33NO/c1-2-3-4-5-6-7-12-18-27-19-17-24(26(27)28)25-22-15-10-8-13-20(22)21-14-9-11-16-23(21)25/h8-11,13-16,24-25H,2-7,12,17-19H2,1H3
InChIKeyURKGUMVYXFJYAA-UHFFFAOYSA-N
XLogP6.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 56.40
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-nonylpyrrolidin-2-one?
The IUPAC name of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one (CID 171354792) is 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one?
The canonical SMILES for 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one is CCCCCCCCCN1CCC(C2c3ccccc3-c3ccccc32)C1=O.
What is the InChIKey of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one?
The InChIKey is URKGUMVYXFJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO/c1-2-3-4-5-6-7-12-18-27-19-17-24(26(27)28)25-22-15-10-8-13-20(22)21-14-9-11-16-23(21)25/h8-11,13-16,24-25H,2-7,12,17-19H2,1H3.
What are the key properties of 3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one?
3-(9H-fluoren-9-yl)-1-nonylpyrrolidin-2-one has a molecular weight of 375.56 g/mol, XLogP of 6.40, 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-nonylpyrrolidin-2-one is sourced from PubChem (CID 171354792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).