(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one

C17H25NO3 — CID 70970630

IUPAC(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CO)cc1
InChIInChI=1S/C17H25NO3/c1-2-3-4-5-16(20)13-6-8-14(9-7-13)18-15(12-19)10-11-17(18)21/h6-9,15-16,19-20H,2-5,10-12H2,1H3/t15-,16?/m1/s1
InChIKeyRDLQBVPESKQRIC-AAFJCEBUSA-N
MW291.39 g/mol
LogP2.79
Rot. Bonds7

About (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one

(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 70970630) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one
PubChem CID70970630
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one
SMILESCCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CO)cc1
InChIInChI=1S/C17H25NO3/c1-2-3-4-5-16(20)13-6-8-14(9-7-13)18-15(12-19)10-11-17(18)21/h6-9,15-16,19-20H,2-5,10-12H2,1H3/t15-,16?/m1/s1
InChIKeyRDLQBVPESKQRIC-AAFJCEBUSA-N
XLogP2.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)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 (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one (CID 70970630) is (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one is CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2CO)cc1.
What is the InChIKey of (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is RDLQBVPESKQRIC-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-3-4-5-16(20)13-6-8-14(9-7-13)18-15(12-19)10-11-17(18)21/h6-9,15-16,19-20H,2-5,10-12H2,1H3/t15-,16?/m1/s1.
What are the key properties of (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one?
(5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 291.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[4-(1-hydroxyhexyl)phenyl]-5-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 70970630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).