2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide

C15H18N2O3 — CID 170119033

IUPAC2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
SMILESC=CCCC(C(=O)NC)N1Cc2cc(O)ccc2C1=O
InChIInChI=1S/C15H18N2O3/c1-3-4-5-13(14(19)16-2)17-9-10-8-11(18)6-7-12(10)15(17)20/h3,6-8,13,18H,1,4-5,9H2,2H3,(H,16,19)
InChIKeySQZSWDPLSJPQBW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.43
Rot. Bonds5

About 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide

2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide (PubChem CID 170119033) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide.

Molecular Properties

Compound Name2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
PubChem CID170119033
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
SMILESC=CCCC(C(=O)NC)N1Cc2cc(O)ccc2C1=O
InChIInChI=1S/C15H18N2O3/c1-3-4-5-13(14(19)16-2)17-9-10-8-11(18)6-7-12(10)15(17)20/h3,6-8,13,18H,1,4-5,9H2,2H3,(H,16,19)
InChIKeySQZSWDPLSJPQBW-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide?
The IUPAC name of 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide (CID 170119033) is 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide.
What is the SMILES notation for 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide?
The canonical SMILES for 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide is C=CCCC(C(=O)NC)N1Cc2cc(O)ccc2C1=O.
What is the InChIKey of 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide?
The InChIKey is SQZSWDPLSJPQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-4-5-13(14(19)16-2)17-9-10-8-11(18)6-7-12(10)15(17)20/h3,6-8,13,18H,1,4-5,9H2,2H3,(H,16,19).
What are the key properties of 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide?
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide has a molecular weight of 274.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide is sourced from PubChem (CID 170119033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).