(E)-4-(2-hydroxyanilino)pent-3-en-2-one

C11H13NO2 — CID 5354758

IUPAC(E)-4-(2-hydroxyanilino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1ccccc1O
InChIInChI=1S/C11H13NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h3-7,12,14H,1-2H3/b8-7+
InChIKeyDQRCPPWVTPMGHV-BQYQJAHWSA-N
MW191.23 g/mol
LogP2.30
Rot. Bonds3

About (E)-4-(2-hydroxyanilino)pent-3-en-2-one

(E)-4-(2-hydroxyanilino)pent-3-en-2-one (PubChem CID 5354758) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-4-(2-hydroxyanilino)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-(2-hydroxyanilino)pent-3-en-2-one
PubChem CID5354758
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-4-(2-hydroxyanilino)pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1ccccc1O
InChIInChI=1S/C11H13NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h3-7,12,14H,1-2H3/b8-7+
InChIKeyDQRCPPWVTPMGHV-BQYQJAHWSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetaminophen
CID 1983
Acetarsol
CID 1985
2-Acetamidophenol
CID 11972
N-(4-Hydroxyphenyl)propanamide
CID 74325
2-(Dimethylamino)phenol
CID 459235
4'-Hydroxybutyranilide
CID 66874
N-(2-Hydroxy-5-methylphenyl)acetamide
CID 292583
Vegfrecine
CID 136726174
o-(Methylamino)phenol
CID 69138
Acetarsol sodium
CID 23668632
N-(4-hydroxyphenyl)acrylamide
CID 36830
n-(2-Hydroxyphenyl)formamide
CID 261527

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-hydroxyanilino)pent-3-en-2-one?
The IUPAC name of (E)-4-(2-hydroxyanilino)pent-3-en-2-one (CID 5354758) is (E)-4-(2-hydroxyanilino)pent-3-en-2-one.
What is the SMILES notation for (E)-4-(2-hydroxyanilino)pent-3-en-2-one?
The canonical SMILES for (E)-4-(2-hydroxyanilino)pent-3-en-2-one is CC(=O)/C=C(\C)Nc1ccccc1O.
What is the InChIKey of (E)-4-(2-hydroxyanilino)pent-3-en-2-one?
The InChIKey is DQRCPPWVTPMGHV-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(7-9(2)13)12-10-5-3-4-6-11(10)14/h3-7,12,14H,1-2H3/b8-7+.
What are the key properties of (E)-4-(2-hydroxyanilino)pent-3-en-2-one?
(E)-4-(2-hydroxyanilino)pent-3-en-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-hydroxyanilino)pent-3-en-2-one is sourced from PubChem (CID 5354758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).