1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one

C19H25NO2 — CID 15157378

IUPAC1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one
SMILESCc1cc(C)c2c(c1O)C(N1CCCC1=O)C1CCCCC21
InChIInChI=1S/C19H25NO2/c1-11-10-12(2)19(22)17-16(11)13-6-3-4-7-14(13)18(17)20-9-5-8-15(20)21/h10,13-14,18,22H,3-9H2,1-2H3
InChIKeyPTAYMWGTBUTORD-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.96
Rot. Bonds1

About 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one

1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one (PubChem CID 15157378) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one
PubChem CID15157378
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one
SMILESCc1cc(C)c2c(c1O)C(N1CCCC1=O)C1CCCCC21
InChIInChI=1S/C19H25NO2/c1-11-10-12(2)19(22)17-16(11)13-6-3-4-7-14(13)18(17)20-9-5-8-15(20)21/h10,13-14,18,22H,3-9H2,1-2H3
InChIKeyPTAYMWGTBUTORD-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one?
The IUPAC name of 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one (CID 15157378) is 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one is Cc1cc(C)c2c(c1O)C(N1CCCC1=O)C1CCCCC21.
What is the InChIKey of 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one?
The InChIKey is PTAYMWGTBUTORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-11-10-12(2)19(22)17-16(11)13-6-3-4-7-14(13)18(17)20-9-5-8-15(20)21/h10,13-14,18,22H,3-9H2,1-2H3.
What are the key properties of 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one?
1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-5,7-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-9-yl)pyrrolidin-2-one is sourced from PubChem (CID 15157378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).