(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one

C14H17NO — CID 44725715

IUPAC(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one
SMILESC/C(=C/N(C)C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H17NO/c1-12(11-15(2)3)14(16)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3/b10-9+,12-11-
InChIKeyPCHDJRQCFNATCA-PVHUKWJHSA-N
MW215.30 g/mol
LogP2.73
Rot. Bonds4

About (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one

(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one (PubChem CID 44725715) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one
PubChem CID44725715
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one
SMILESC/C(=C/N(C)C)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H17NO/c1-12(11-15(2)3)14(16)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3/b10-9+,12-11-
InChIKeyPCHDJRQCFNATCA-PVHUKWJHSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.73
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

(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
acetic acid;stilbene
CID 172803728
(E)-2-oxo-4-phenylbut-3-enoate
CID 6994167
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
(E)-2-oxo-4-phenyl-N,N-di(propan-2-yl)but-3-enamide
CID 11470935
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
tris(3-benzylidene-6-phenylhex-5-ene-2,4-dione);bis(palladium)
CID 175947090
(1E,3E)-2-(benzenesulfonyl)-N,N-dimethyl-4-phenylbuta-1,3-dien-1-amine
CID 6367762
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
(1E,4Z)-4-chloro-1-phenylhepta-1,4-dien-3-one
CID 15046066

Frequently Asked Questions

What is the IUPAC name of (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one?
The IUPAC name of (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one (CID 44725715) is (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one.
What is the SMILES notation for (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one?
The canonical SMILES for (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one is C/C(=C/N(C)C)C(=O)/C=C/c1ccccc1.
What is the InChIKey of (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one?
The InChIKey is PCHDJRQCFNATCA-PVHUKWJHSA-N. The full InChI is InChI=1S/C14H17NO/c1-12(11-15(2)3)14(16)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3/b10-9+,12-11-.
What are the key properties of (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one?
(1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-(dimethylamino)-2-methyl-5-phenylpenta-1,4-dien-3-one is sourced from PubChem (CID 44725715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).