(E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one

C19H15NO — CID 155536583

IUPAC(E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one
SMILESNc1c(C(=O)/C=C/c2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H15NO/c20-19-16-9-5-4-8-15(16)11-12-17(19)18(21)13-10-14-6-2-1-3-7-14/h1-13H,20H2/b13-10+
InChIKeyJWXJEDPSNWOKRG-JLHYYAGUSA-N
MW273.33 g/mol
LogP4.32
Rot. Bonds3

About (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one

(E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one (PubChem CID 155536583) has the molecular formula C19H15NO and a molecular weight of 273.33 g/mol. Its IUPAC name is (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one
PubChem CID155536583
Molecular FormulaC19H15NO
Molecular Weight273.33 g/mol
Exact Mass273.12
IUPAC Name(E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one
SMILESNc1c(C(=O)/C=C/c2ccccc2)ccc2ccccc12
InChIInChI=1S/C19H15NO/c20-19-16-9-5-4-8-15(16)11-12-17(19)18(21)13-10-14-6-2-1-3-7-14/h1-13H,20H2/b13-10+
InChIKeyJWXJEDPSNWOKRG-JLHYYAGUSA-N
XLogP4.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one (CID 155536583) is (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one is Nc1c(C(=O)/C=C/c2ccccc2)ccc2ccccc12.
What is the InChIKey of (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one?
The InChIKey is JWXJEDPSNWOKRG-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H15NO/c20-19-16-9-5-4-8-15(16)11-12-17(19)18(21)13-10-14-6-2-1-3-7-14/h1-13H,20H2/b13-10+.
What are the key properties of (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one?
(E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one has a molecular weight of 273.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-aminonaphthalen-2-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 155536583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).