2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one

C14H16N2O3 — CID 126484737

IUPAC2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one
SMILESNCc1cc(=O)c2cc(N3CC[C@H](O)C3)ccc2o1
InChIInChI=1S/C14H16N2O3/c15-7-11-6-13(18)12-5-9(1-2-14(12)19-11)16-4-3-10(17)8-16/h1-2,5-6,10,17H,3-4,7-8,15H2/t10-/m0/s1
InChIKeyHCQGDKAJXSFWEJ-JTQLQIEISA-N
MW260.29 g/mol
LogP0.82
Rot. Bonds2

About 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one

2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one (PubChem CID 126484737) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one
PubChem CID126484737
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one
SMILESNCc1cc(=O)c2cc(N3CC[C@H](O)C3)ccc2o1
InChIInChI=1S/C14H16N2O3/c15-7-11-6-13(18)12-5-9(1-2-14(12)19-11)16-4-3-10(17)8-16/h1-2,5-6,10,17H,3-4,7-8,15H2/t10-/m0/s1
InChIKeyHCQGDKAJXSFWEJ-JTQLQIEISA-N
XLogP0.82
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one?
The IUPAC name of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one (CID 126484737) is 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one?
The canonical SMILES for 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one is NCc1cc(=O)c2cc(N3CC[C@H](O)C3)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one?
The InChIKey is HCQGDKAJXSFWEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3/c15-7-11-6-13(18)12-5-9(1-2-14(12)19-11)16-4-3-10(17)8-16/h1-2,5-6,10,17H,3-4,7-8,15H2/t10-/m0/s1.
What are the key properties of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one?
2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one has a molecular weight of 260.29 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one is sourced from PubChem (CID 126484737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).