(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate

C15H16N2O6 — CID 146560988

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
SMILESC=C(C)C(=O)Nc1ccc(OC(=O)ON2C(=O)CCC2O)cc1
InChIInChI=1S/C15H16N2O6/c1-9(2)14(20)16-10-3-5-11(6-4-10)22-15(21)23-17-12(18)7-8-13(17)19/h3-6,12,18H,1,7-8H2,2H3,(H,16,20)
InChIKeyOWYROTCKRAWGEM-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.57
Rot. Bonds4

About (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate

(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate (PubChem CID 146560988) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
PubChem CID146560988
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate
SMILESC=C(C)C(=O)Nc1ccc(OC(=O)ON2C(=O)CCC2O)cc1
InChIInChI=1S/C15H16N2O6/c1-9(2)14(20)16-10-3-5-11(6-4-10)22-15(21)23-17-12(18)7-8-13(17)19/h3-6,12,18H,1,7-8H2,2H3,(H,16,20)
InChIKeyOWYROTCKRAWGEM-UHFFFAOYSA-N
XLogP1.57
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methylprop-2-enoylamino)phenoxy]boronic acid
CID 139688693
tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
CID 172860369
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073
(2-hydroxy-5-oxopyrrolidin-1-yl) N-[3-carbamoyl-4-(dimethylamino)phenyl]carbamate
CID 139562752
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
bis(4-acetamidophenyl) propanedioate
CID 58435595
2-methyl-N-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]phenyl]prop-2-enamide
CID 134421748
(4-acetylphenyl) (2,5-dioxopyrrolidin-1-yl) carbonate
CID 59294693
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
N-[4-[(2,5-dioxopyrrolidin-1-yl)methoxy]phenyl]acetamide
CID 71426145

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate (CID 146560988) is (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate is C=C(C)C(=O)Nc1ccc(OC(=O)ON2C(=O)CCC2O)cc1.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate?
The InChIKey is OWYROTCKRAWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-9(2)14(20)16-10-3-5-11(6-4-10)22-15(21)23-17-12(18)7-8-13(17)19/h3-6,12,18H,1,7-8H2,2H3,(H,16,20).
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate?
(2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate has a molecular weight of 320.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) [4-(2-methylprop-2-enoylamino)phenyl] carbonate is sourced from PubChem (CID 146560988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).