(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one

C17H16O — CID 139259985

IUPAC(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
SMILESCC/C=C\C=C\C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H16O/c1-2-3-4-5-13-17(18)16-12-8-10-14-9-6-7-11-15(14)16/h3-13H,2H2,1H3/b4-3-,13-5+
InChIKeyFRZJKBLJEHZHAC-FBOMXQGKSA-N
MW236.31 g/mol
LogP4.54
Rot. Bonds4

About (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one

(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one (PubChem CID 139259985) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
PubChem CID139259985
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
SMILESCC/C=C\C=C\C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H16O/c1-2-3-4-5-13-17(18)16-12-8-10-14-9-6-7-11-15(14)16/h3-13H,2H2,1H3/b4-3-,13-5+
InChIKeyFRZJKBLJEHZHAC-FBOMXQGKSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 72672439
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(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
(E)-1-naphthalen-1-yl-5-phenylpent-2-en-4-yn-1-one
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(E)-3-(4-chlorophenoxy)-1-naphthalen-1-ylprop-2-en-1-one
CID 27185593
(E)-3-(3-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126185289
2-diazo-1-naphthalen-1-ylethanone
CID 73176926
CID 129133768
CID 129133768
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
1-naphthalen-1-ylbutane-1,2-dione
CID 139265593
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CID 54067413

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one (CID 139259985) is (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one is CC/C=C\C=C\C(=O)c1cccc2ccccc12.
What is the InChIKey of (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one?
The InChIKey is FRZJKBLJEHZHAC-FBOMXQGKSA-N. The full InChI is InChI=1S/C17H16O/c1-2-3-4-5-13-17(18)16-12-8-10-14-9-6-7-11-15(14)16/h3-13H,2H2,1H3/b4-3-,13-5+.
What are the key properties of (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one?
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one is sourced from PubChem (CID 139259985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).