(Z)-4-amino-1,3-diphenylbut-2-en-1-one

C16H15NO — CID 141444019

IUPAC(Z)-4-amino-1,3-diphenylbut-2-en-1-one
SMILESNC/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-11H,12,17H2/b15-11+
InChIKeyHAHTYLGIMUMNJY-RVDMUPIBSA-N
MW237.30 g/mol
LogP2.91
Rot. Bonds4

About (Z)-4-amino-1,3-diphenylbut-2-en-1-one

(Z)-4-amino-1,3-diphenylbut-2-en-1-one (PubChem CID 141444019) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (Z)-4-amino-1,3-diphenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-4-amino-1,3-diphenylbut-2-en-1-one
PubChem CID141444019
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(Z)-4-amino-1,3-diphenylbut-2-en-1-one
SMILESNC/C(=C\C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H15NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-11H,12,17H2/b15-11+
InChIKeyHAHTYLGIMUMNJY-RVDMUPIBSA-N
XLogP2.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.91
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 (Z)-4-amino-1,3-diphenylbut-2-en-1-one?
The IUPAC name of (Z)-4-amino-1,3-diphenylbut-2-en-1-one (CID 141444019) is (Z)-4-amino-1,3-diphenylbut-2-en-1-one.
What is the SMILES notation for (Z)-4-amino-1,3-diphenylbut-2-en-1-one?
The canonical SMILES for (Z)-4-amino-1,3-diphenylbut-2-en-1-one is NC/C(=C\C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-4-amino-1,3-diphenylbut-2-en-1-one?
The InChIKey is HAHTYLGIMUMNJY-RVDMUPIBSA-N. The full InChI is InChI=1S/C16H15NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-11H,12,17H2/b15-11+.
What are the key properties of (Z)-4-amino-1,3-diphenylbut-2-en-1-one?
(Z)-4-amino-1,3-diphenylbut-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-1,3-diphenylbut-2-en-1-one is sourced from PubChem (CID 141444019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).