(E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide

C8H10N2O2 — CID 44819724

IUPAC(E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide
SMILESCn1cccc1/C=C/C(=O)NO
InChIInChI=1S/C8H10N2O2/c1-10-6-2-3-7(10)4-5-8(11)9-12/h2-6,12H,1H3,(H,9,11)/b5-4+
InChIKeyGKQWZKRNDXGPEF-SNAWJCMRSA-N
MW166.18 g/mol
LogP0.54
Rot. Bonds2

About (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide

(E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide (PubChem CID 44819724) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide
PubChem CID44819724
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide
SMILESCn1cccc1/C=C/C(=O)NO
InChIInChI=1S/C8H10N2O2/c1-10-6-2-3-7(10)4-5-8(11)9-12/h2-6,12H,1H3,(H,9,11)/b5-4+
InChIKeyGKQWZKRNDXGPEF-SNAWJCMRSA-N
XLogP0.54
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CID 6235482
(E)-N-hydroxy-3-[2-oxo-1-(pyridin-2-ylmethyl)-3-pyridinyl]prop-2-enamide
CID 118737948
1-Methylpyrrole-2-carboxamide
CID 2379477
3-(1-methylpyrrol-2-yl)prop-2-enoic Acid
CID 4962308
(E)-N-hydroxy-3-[2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]prop-2-enamide
CID 118737949
(E)-3-(3-pyridyl)prop-2-enehydroxamic acid
CID 44819899
1-Methoxypyrrole-2-carboxamide
CID 132505930
(5Z)-5-[(1-methylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1331077
3H-Pyrrolizin-3-one
CID 12422666
Pyrrole, 2-((N-acetyl-N-ethylamino)methyl)-
CID 119986
2-(1-ethyl-1H-pyrrol-2-yl)ethan-1-amine
CID 66404226
3-(2,5-Dimethyl-1H-pyrrol-1-yl)propanamide
CID 43553922

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide (CID 44819724) is (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide is Cn1cccc1/C=C/C(=O)NO.
What is the InChIKey of (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide?
The InChIKey is GKQWZKRNDXGPEF-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-6-2-3-7(10)4-5-8(11)9-12/h2-6,12H,1H3,(H,9,11)/b5-4+.
What are the key properties of (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide?
(E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide has a molecular weight of 166.18 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(1-methylpyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 44819724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).