1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one

C15H22N2O — CID 45268750

IUPAC1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(N)cc1)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3
InChIKeyDUNXFOYJTLLKNQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one

1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 45268750) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID45268750
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(N)cc1)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3
InChIKeyDUNXFOYJTLLKNQ-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 45268750) is 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(N)cc1)N1CCCC1.
What is the InChIKey of 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is DUNXFOYJTLLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one?
1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 45268750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).