1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one

C14H20N2O2 — CID 81150822

IUPAC1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
SMILESCCC1CC(=O)N(Cc2cc(N)cc(OC)c2)C1
InChIInChI=1S/C14H20N2O2/c1-3-10-6-14(17)16(8-10)9-11-4-12(15)7-13(5-11)18-2/h4-5,7,10H,3,6,8-9,15H2,1-2H3
InChIKeyBHDMOHZYNBSIPU-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds4

About 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one

1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one (PubChem CID 81150822) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
PubChem CID81150822
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
SMILESCCC1CC(=O)N(Cc2cc(N)cc(OC)c2)C1
InChIInChI=1S/C14H20N2O2/c1-3-10-6-14(17)16(8-10)9-11-4-12(15)7-13(5-11)18-2/h4-5,7,10H,3,6,8-9,15H2,1-2H3
InChIKeyBHDMOHZYNBSIPU-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
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-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one?
The IUPAC name of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one (CID 81150822) is 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one.
What is the SMILES notation for 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one?
The canonical SMILES for 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one is CCC1CC(=O)N(Cc2cc(N)cc(OC)c2)C1.
What is the InChIKey of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one?
The InChIKey is BHDMOHZYNBSIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-6-14(17)16(8-10)9-11-4-12(15)7-13(5-11)18-2/h4-5,7,10H,3,6,8-9,15H2,1-2H3.
What are the key properties of 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one?
1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one is sourced from PubChem (CID 81150822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).