(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione

C15H12O2 — CID 102019956

IUPAC(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C/C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H12O2/c1-11(16)6-9-15(17)14-8-7-12-4-2-3-5-13(12)10-14/h2-10H,1H3/b9-6+
InChIKeyHJEFFMYXMHGMTC-RMKNXTFCSA-N
MW224.26 g/mol
LogP3.17
Rot. Bonds3

About (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione

(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione (PubChem CID 102019956) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione.

Molecular Properties

Compound Name(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
PubChem CID102019956
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
SMILESCC(=O)/C=C/C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H12O2/c1-11(16)6-9-15(17)14-8-7-12-4-2-3-5-13(12)10-14/h2-10H,1H3/b9-6+
InChIKeyHJEFFMYXMHGMTC-RMKNXTFCSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
(2E,4E)-5-bromo-1-naphthalen-2-yl-4-phenylhexa-2,4-dien-1-one
CID 130330850
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one
CID 5345610
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
CID 101486753
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 3531094
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296

Frequently Asked Questions

What is the IUPAC name of (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione?
The IUPAC name of (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione (CID 102019956) is (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione.
What is the SMILES notation for (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione?
The canonical SMILES for (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione is CC(=O)/C=C/C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione?
The InChIKey is HJEFFMYXMHGMTC-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H12O2/c1-11(16)6-9-15(17)14-8-7-12-4-2-3-5-13(12)10-14/h2-10H,1H3/b9-6+.
What are the key properties of (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione?
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione has a molecular weight of 224.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-naphthalen-2-ylpent-2-ene-1,4-dione is sourced from PubChem (CID 102019956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).