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

C7H8N2O2 — CID 87266341

IUPAC(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc[nH]1)NO
InChIInChI=1S/C7H8N2O2/c10-7(9-11)4-3-6-2-1-5-8-6/h1-5,8,11H,(H,9,10)/b4-3+
InChIKeyNHRXJRTWORFEJI-ONEGZZNKSA-N
MW152.15 g/mol
LogP0.53
Rot. Bonds2

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

(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide (PubChem CID 87266341) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide
PubChem CID87266341
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc[nH]1)NO
InChIInChI=1S/C7H8N2O2/c10-7(9-11)4-3-6-2-1-5-8-6/h1-5,8,11H,(H,9,10)/b4-3+
InChIKeyNHRXJRTWORFEJI-ONEGZZNKSA-N
XLogP0.53
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1H-pyrrol-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide (CID 87266341) is (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide is O=C(/C=C/c1ccc[nH]1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide?
The InChIKey is NHRXJRTWORFEJI-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(9-11)4-3-6-2-1-5-8-6/h1-5,8,11H,(H,9,10)/b4-3+.
What are the key properties of (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide?
(E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide has a molecular weight of 152.15 g/mol, XLogP of 0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(1H-pyrrol-2-yl)prop-2-enamide is sourced from PubChem (CID 87266341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).