(E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide

C9H10N2O3 — CID 45270754

IUPAC(E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
SMILESCn1cc(C=O)cc1/C=C/C(=O)NO
InChIInChI=1S/C9H10N2O3/c1-11-5-7(6-12)4-8(11)2-3-9(13)10-14/h2-6,14H,1H3,(H,10,13)/b3-2+
InChIKeyHNAPFMFAGIZCIF-NSCUHMNNSA-N
MW194.19 g/mol
LogP0.36
Rot. Bonds3

About (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide

(E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide (PubChem CID 45270754) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
PubChem CID45270754
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name(E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide
SMILESCn1cc(C=O)cc1/C=C/C(=O)NO
InChIInChI=1S/C9H10N2O3/c1-11-5-7(6-12)4-8(11)2-3-9(13)10-14/h2-6,14H,1H3,(H,10,13)/b3-2+
InChIKeyHNAPFMFAGIZCIF-NSCUHMNNSA-N
XLogP0.36
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide (CID 45270754) is (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide is Cn1cc(C=O)cc1/C=C/C(=O)NO.
What is the InChIKey of (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
The InChIKey is HNAPFMFAGIZCIF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-11-5-7(6-12)4-8(11)2-3-9(13)10-14/h2-6,14H,1H3,(H,10,13)/b3-2+.
What are the key properties of (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide?
(E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide has a molecular weight of 194.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-formyl-1-methylpyrrol-2-yl)-N-hydroxyprop-2-enamide is sourced from PubChem (CID 45270754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).