(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one

C15H12O — CID 21417039

IUPAC(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
SMILESC=CC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C15H12O/c1-2-14(16)11-10-13-8-5-7-12-6-3-4-9-15(12)13/h2-11H,1H2/b11-10+
InChIKeyCAOSVPJVXYGNKL-ZHACJKMWSA-N
MW208.26 g/mol
LogP3.61
Rot. Bonds3

About (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one

(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one (PubChem CID 21417039) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
PubChem CID21417039
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
SMILESC=CC(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C15H12O/c1-2-14(16)11-10-13-8-5-7-12-6-3-4-9-15(12)13/h2-11H,1H2/b11-10+
InChIKeyCAOSVPJVXYGNKL-ZHACJKMWSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 6233082
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(E)-6-naphthalen-1-yl-4-oxohex-5-enoic acid
CID 5357572
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(1E,4E)-1,5-bis(7-bromonaphthalen-1-yl)penta-1,4-dien-3-one
CID 176830336
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020

Frequently Asked Questions

What is the IUPAC name of (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one?
The IUPAC name of (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one (CID 21417039) is (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one.
What is the SMILES notation for (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one?
The canonical SMILES for (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one is C=CC(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one?
The InChIKey is CAOSVPJVXYGNKL-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H12O/c1-2-14(16)11-10-13-8-5-7-12-6-3-4-9-15(12)13/h2-11H,1H2/b11-10+.
What are the key properties of (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one?
(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one has a molecular weight of 208.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one is sourced from PubChem (CID 21417039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).