(E)-5-anilino-1-phenylpent-1-en-3-one

C17H17NO — CID 12842177

IUPAC(E)-5-anilino-1-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CCNc1ccccc1
InChIInChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)13-14-18-16-9-5-2-6-10-16/h1-12,18H,13-14H2/b12-11+
InChIKeyKSTFKDKYTUSHPJ-VAWYXSNFSA-N
MW251.33 g/mol
LogP3.77
Rot. Bonds6

About (E)-5-anilino-1-phenylpent-1-en-3-one

(E)-5-anilino-1-phenylpent-1-en-3-one (PubChem CID 12842177) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (E)-5-anilino-1-phenylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-anilino-1-phenylpent-1-en-3-one
PubChem CID12842177
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(E)-5-anilino-1-phenylpent-1-en-3-one
SMILESO=C(/C=C/c1ccccc1)CCNc1ccccc1
InChIInChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)13-14-18-16-9-5-2-6-10-16/h1-12,18H,13-14H2/b12-11+
InChIKeyKSTFKDKYTUSHPJ-VAWYXSNFSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-anilino-1-phenylpent-1-en-3-one?
The IUPAC name of (E)-5-anilino-1-phenylpent-1-en-3-one (CID 12842177) is (E)-5-anilino-1-phenylpent-1-en-3-one.
What is the SMILES notation for (E)-5-anilino-1-phenylpent-1-en-3-one?
The canonical SMILES for (E)-5-anilino-1-phenylpent-1-en-3-one is O=C(/C=C/c1ccccc1)CCNc1ccccc1.
What is the InChIKey of (E)-5-anilino-1-phenylpent-1-en-3-one?
The InChIKey is KSTFKDKYTUSHPJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(12-11-15-7-3-1-4-8-15)13-14-18-16-9-5-2-6-10-16/h1-12,18H,13-14H2/b12-11+.
What are the key properties of (E)-5-anilino-1-phenylpent-1-en-3-one?
(E)-5-anilino-1-phenylpent-1-en-3-one has a molecular weight of 251.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-anilino-1-phenylpent-1-en-3-one is sourced from PubChem (CID 12842177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).