(E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide

C20H18N2O5 — CID 171344585

IUPAC(E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN2C(=O)C3(OCCO3)c3ccccc32)cc1)NO
InChIInChI=1S/C20H18N2O5/c23-18(21-25)10-9-14-5-7-15(8-6-14)13-22-17-4-2-1-3-16(17)20(19(22)24)26-11-12-27-20/h1-10,25H,11-13H2,(H,21,23)/b10-9+
InChIKeyXZMMTXKYCCGECQ-MDZDMXLPSA-N
MW366.37 g/mol
LogP1.95
Rot. Bonds4

About (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide (PubChem CID 171344585) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide
PubChem CID171344585
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name(E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(CN2C(=O)C3(OCCO3)c3ccccc32)cc1)NO
InChIInChI=1S/C20H18N2O5/c23-18(21-25)10-9-14-5-7-15(8-6-14)13-22-17-4-2-1-3-16(17)20(19(22)24)26-11-12-27-20/h1-10,25H,11-13H2,(H,21,23)/b10-9+
InChIKeyXZMMTXKYCCGECQ-MDZDMXLPSA-N
XLogP1.95
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide (CID 171344585) is (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide is O=C(/C=C/c1ccc(CN2C(=O)C3(OCCO3)c3ccccc32)cc1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide?
The InChIKey is XZMMTXKYCCGECQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-18(21-25)10-9-14-5-7-15(8-6-14)13-22-17-4-2-1-3-16(17)20(19(22)24)26-11-12-27-20/h1-10,25H,11-13H2,(H,21,23)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide has a molecular weight of 366.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[4-[(2'-oxospiro[1,3-dioxolane-2,3'-indole]-1'-yl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 171344585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).