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

C26H31NO2 — CID 171352846

IUPAC3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one
SMILESCCCCCCCCC(=O)N1CCC(C2c3ccccc3-c3ccccc32)C1=O
InChIInChI=1S/C26H31NO2/c1-2-3-4-5-6-7-16-24(28)27-18-17-23(26(27)29)25-21-14-10-8-12-19(21)20-13-9-11-15-22(20)25/h8-15,23,25H,2-7,16-18H2,1H3
InChIKeyLXSFGPHURDYGPW-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.92
Rot. Bonds8

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

3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one (PubChem CID 171352846) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one
PubChem CID171352846
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one
SMILESCCCCCCCCC(=O)N1CCC(C2c3ccccc3-c3ccccc32)C1=O
InChIInChI=1S/C26H31NO2/c1-2-3-4-5-6-7-16-24(28)27-18-17-23(26(27)29)25-21-14-10-8-12-19(21)20-13-9-11-15-22(20)25/h8-15,23,25H,2-7,16-18H2,1H3
InChIKeyLXSFGPHURDYGPW-UHFFFAOYSA-N
XLogP5.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one?
The IUPAC name of 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one (CID 171352846) is 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one?
The canonical SMILES for 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one is CCCCCCCCC(=O)N1CCC(C2c3ccccc3-c3ccccc32)C1=O.
What is the InChIKey of 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one?
The InChIKey is LXSFGPHURDYGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-2-3-4-5-6-7-16-24(28)27-18-17-23(26(27)29)25-21-14-10-8-12-19(21)20-13-9-11-15-22(20)25/h8-15,23,25H,2-7,16-18H2,1H3.
What are the key properties of 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one?
3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one has a molecular weight of 389.54 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one is sourced from PubChem (CID 171352846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).