(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide

C17H16N2O3 — CID 11130223

IUPAC(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide
SMILESCn1cc(C(=O)/C=C/c2ccccc2)cc1/C=C/C(=O)NO
InChIInChI=1S/C17H16N2O3/c1-19-12-14(11-15(19)8-10-17(21)18-22)16(20)9-7-13-5-3-2-4-6-13/h2-12,22H,1H3,(H,18,21)/b9-7+,10-8+
InChIKeyQXMYMOLEKLSCOU-FIFLTTCUSA-N
MW296.33 g/mol
LogP2.44
Rot. Bonds5

About (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide (PubChem CID 11130223) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide
PubChem CID11130223
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide
SMILESCn1cc(C(=O)/C=C/c2ccccc2)cc1/C=C/C(=O)NO
InChIInChI=1S/C17H16N2O3/c1-19-12-14(11-15(19)8-10-17(21)18-22)16(20)9-7-13-5-3-2-4-6-13/h2-12,22H,1H3,(H,18,21)/b9-7+,10-8+
InChIKeyQXMYMOLEKLSCOU-FIFLTTCUSA-N
XLogP2.44
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide (CID 11130223) is (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide is Cn1cc(C(=O)/C=C/c2ccccc2)cc1/C=C/C(=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide?
The InChIKey is QXMYMOLEKLSCOU-FIFLTTCUSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-12-14(11-15(19)8-10-17(21)18-22)16(20)9-7-13-5-3-2-4-6-13/h2-12,22H,1H3,(H,18,21)/b9-7+,10-8+.
What are the key properties of (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide has a molecular weight of 296.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 11130223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).