2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione

C15H16N2O3 — CID 19422450

IUPAC2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione
SMILESC#CCN(C)CC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O3/c1-3-8-16(2)9-11(18)10-17-14(19)12-6-4-5-7-13(12)15(17)20/h1,4-7,11,18H,8-10H2,2H3
InChIKeyIIHZTGISODIKBZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.21
Rot. Bonds5

About 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione

2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione (PubChem CID 19422450) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione
PubChem CID19422450
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione
SMILESC#CCN(C)CC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O3/c1-3-8-16(2)9-11(18)10-17-14(19)12-6-4-5-7-13(12)15(17)20/h1,4-7,11,18H,8-10H2,2H3
InChIKeyIIHZTGISODIKBZ-UHFFFAOYSA-N
XLogP0.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypent-4-ynyl)isoindole-1,3-dione
CID 118917495
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione
CID 42944047
2-[(2S)-2-hydroxy-3-[methyl-[(1R)-1-thiophen-2-ylethyl]amino]propyl]isoindole-1,3-dione
CID 94782974
2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-methylboronamidic acid
CID 140816528
2-[(2S)-2-hydroxy-3-(4-methylphenyl)propyl]isoindole-1,3-dione
CID 167611786
2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
CID 176956532
2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-(3-anilino-2-hydroxypropyl)isoindole-1,3-dione
CID 45158358
2-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]isoindole-1,3-dione
CID 101088829

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione (CID 19422450) is 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione is C#CCN(C)CC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione?
The InChIKey is IIHZTGISODIKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-8-16(2)9-11(18)10-17-14(19)12-6-4-5-7-13(12)15(17)20/h1,4-7,11,18H,8-10H2,2H3.
What are the key properties of 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione has a molecular weight of 272.30 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[methyl(prop-2-ynyl)amino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 19422450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).