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

C14H17ClN2O3 — CID 126484736

IUPAC2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(N3CC[C@H](O)C3)ccc2o1
InChIInChI=1S/C14H16N2O3.ClH/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;1H/t10-;/m0./s1
InChIKeyNNODGHMXIPQLSK-PPHPATTJSA-N
MW296.75 g/mol
LogP1.24
Rot. Bonds2

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

2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride (PubChem CID 126484736) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride
PubChem CID126484736
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2cc(N3CC[C@H](O)C3)ccc2o1
InChIInChI=1S/C14H16N2O3.ClH/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;1H/t10-;/m0./s1
InChIKeyNNODGHMXIPQLSK-PPHPATTJSA-N
XLogP1.24
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride (CID 126484736) is 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is NNODGHMXIPQLSK-PPHPATTJSA-N. The full InChI is InChI=1S/C14H16N2O3.ClH/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;1H/t10-;/m0./s1.
What are the key properties of 2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride?
2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one;hydrochloride has a molecular weight of 296.75 g/mol, XLogP of 1.24, 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;hydrochloride is sourced from PubChem (CID 126484736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).