1-benzyl-5-nonoxypyrrolidin-2-one

C20H31NO2 — CID 3077975

IUPAC1-benzyl-5-nonoxypyrrolidin-2-one
SMILESCCCCCCCCCOC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-16-23-20-15-14-19(22)21(20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3
InChIKeyVJCOGGRKMXCMJU-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.90
Rot. Bonds11

About 1-benzyl-5-nonoxypyrrolidin-2-one

1-benzyl-5-nonoxypyrrolidin-2-one (PubChem CID 3077975) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 1-benzyl-5-nonoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-nonoxypyrrolidin-2-one
PubChem CID3077975
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name1-benzyl-5-nonoxypyrrolidin-2-one
SMILESCCCCCCCCCOC1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-16-23-20-15-14-19(22)21(20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3
InChIKeyVJCOGGRKMXCMJU-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.90
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

Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98909
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
1-Benzyl-5-ethoxypyrrolidin-2-one
CID 3065698
1-Benzoyl-5-ethoxypyrrolidin-2-one
CID 3077931
1-Benzoyl-5-propoxypyrrolidin-2-one
CID 3077936
1-Benzoyl-5-butoxypyrrolidin-2-one
CID 3077938
2-Pyrrolidinone, 1-benzoyl-5-(pentyloxy)-, (+-)-
CID 3077943
2-Pyrrolidinone, 1-(4-fluorobenzoyl)-5-(pentyloxy)-, (+-)-
CID 3077948
2-Pyrrolidinone, 1-benzoyl-2-(1-methylbutoxy)-, (+-)-
CID 3077950
2-Pyrrolidinone, 1-benzoyl-2-(3-methylbutoxy)-, (+-)-
CID 3077951
1-Benzoyl-5-(2,2-dimethylpropoxy)pyrrolidin-2-one
CID 3077952

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-nonoxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-nonoxypyrrolidin-2-one (CID 3077975) is 1-benzyl-5-nonoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-nonoxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-nonoxypyrrolidin-2-one is CCCCCCCCCOC1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-nonoxypyrrolidin-2-one?
The InChIKey is VJCOGGRKMXCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-2-3-4-5-6-7-11-16-23-20-15-14-19(22)21(20)17-18-12-9-8-10-13-18/h8-10,12-13,20H,2-7,11,14-17H2,1H3.
What are the key properties of 1-benzyl-5-nonoxypyrrolidin-2-one?
1-benzyl-5-nonoxypyrrolidin-2-one has a molecular weight of 317.47 g/mol, XLogP of 4.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-nonoxypyrrolidin-2-one is sourced from PubChem (CID 3077975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).