4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one

C15H22N2O2 — CID 82175991

IUPAC4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1CC(C(N)c2ccccc2)CC1=O
InChIInChI=1S/C15H22N2O2/c1-19-9-5-8-17-11-13(10-14(17)18)15(16)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11,16H2,1H3
InChIKeyBWZKRNJDSMZDCU-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.57
Rot. Bonds6

About 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one

4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one (PubChem CID 82175991) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one
PubChem CID82175991
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one
SMILESCOCCCN1CC(C(N)c2ccccc2)CC1=O
InChIInChI=1S/C15H22N2O2/c1-19-9-5-8-17-11-13(10-14(17)18)15(16)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11,16H2,1H3
InChIKeyBWZKRNJDSMZDCU-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
The IUPAC name of 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one (CID 82175991) is 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one is COCCCN1CC(C(N)c2ccccc2)CC1=O.
What is the InChIKey of 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
The InChIKey is BWZKRNJDSMZDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-9-5-8-17-11-13(10-14(17)18)15(16)12-6-3-2-4-7-12/h2-4,6-7,13,15H,5,8-11,16H2,1H3.
What are the key properties of 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one?
4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 82175991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).