2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

C14H20N2O2 — CID 62068455

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(N)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-10(16-8-7-12(15)9-16)14(17)11-3-5-13(18-2)6-4-11/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyGUUIUUIXYWRYQN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds4

About 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one

2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 62068455) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID62068455
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N2CCC(N)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-10(16-8-7-12(15)9-16)14(17)11-3-5-13(18-2)6-4-11/h3-6,10,12H,7-9,15H2,1-2H3
InChIKeyGUUIUUIXYWRYQN-UHFFFAOYSA-N
XLogP1.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one (CID 62068455) is 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N2CCC(N)C2)cc1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is GUUIUUIXYWRYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(16-8-7-12(15)9-16)14(17)11-3-5-13(18-2)6-4-11/h3-6,10,12H,7-9,15H2,1-2H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one?
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 62068455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).