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

C19H20N2O3 — CID 11438715

IUPAC(2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide
SMILESCC/C(=C\c1cc(C(=O)/C=C/c2ccccc2)cn1C)C(=O)NO
InChIInChI=1S/C19H20N2O3/c1-3-15(19(23)20-24)11-17-12-16(13-21(17)2)18(22)10-9-14-7-5-4-6-8-14/h4-13,24H,3H2,1-2H3,(H,20,23)/b10-9+,15-11+
InChIKeyPDIHQZZJRUMBAG-LVICEBGESA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds6

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

(2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide (PubChem CID 11438715) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide.

Molecular Properties

Compound Name(2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide
PubChem CID11438715
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide
SMILESCC/C(=C\c1cc(C(=O)/C=C/c2ccccc2)cn1C)C(=O)NO
InChIInChI=1S/C19H20N2O3/c1-3-15(19(23)20-24)11-17-12-16(13-21(17)2)18(22)10-9-14-7-5-4-6-8-14/h4-13,24H,3H2,1-2H3,(H,20,23)/b10-9+,15-11+
InChIKeyPDIHQZZJRUMBAG-LVICEBGESA-N
XLogP3.22
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
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 (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide?
The IUPAC name of (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide (CID 11438715) is (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide.
What is the SMILES notation for (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide?
The canonical SMILES for (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide is CC/C(=C\c1cc(C(=O)/C=C/c2ccccc2)cn1C)C(=O)NO.
What is the InChIKey of (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide?
The InChIKey is PDIHQZZJRUMBAG-LVICEBGESA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-15(19(23)20-24)11-17-12-16(13-21(17)2)18(22)10-9-14-7-5-4-6-8-14/h4-13,24H,3H2,1-2H3,(H,20,23)/b10-9+,15-11+.
What are the key properties of (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide?
(2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide has a molecular weight of 324.38 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-hydroxy-2-[[1-methyl-4-[(E)-3-phenylprop-2-enoyl]pyrrol-2-yl]methylidene]butanamide is sourced from PubChem (CID 11438715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).