1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one

C26H33NO — CID 171353750

IUPAC1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCC(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H33NO/c1-2-3-4-5-6-7-16-25(28)27-18-17-20(19-27)26-23-14-10-8-12-21(23)22-13-9-11-15-24(22)26/h8-15,20,26H,2-7,16-19H2,1H3
InChIKeyUOYCHYAYGKUTNB-UHFFFAOYSA-N
MW375.56 g/mol
LogP6.40
Rot. Bonds8

About 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one

1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one (PubChem CID 171353750) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one
PubChem CID171353750
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC Name1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCC(C2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C26H33NO/c1-2-3-4-5-6-7-16-25(28)27-18-17-20(19-27)26-23-14-10-8-12-21(23)22-13-9-11-15-24(22)26/h8-15,20,26H,2-7,16-19H2,1H3
InChIKeyUOYCHYAYGKUTNB-UHFFFAOYSA-N
XLogP6.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one?
The IUPAC name of 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one (CID 171353750) is 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one?
The canonical SMILES for 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCC(C2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one?
The InChIKey is UOYCHYAYGKUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO/c1-2-3-4-5-6-7-16-25(28)27-18-17-20(19-27)26-23-14-10-8-12-21(23)22-13-9-11-15-24(22)26/h8-15,20,26H,2-7,16-19H2,1H3.
What are the key properties of 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one?
1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one has a molecular weight of 375.56 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9H-fluoren-9-yl)pyrrolidin-1-yl]nonan-1-one is sourced from PubChem (CID 171353750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).