5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride

C12H14ClNO2 — CID 141059857

IUPAC5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
SMILESCOc1cccc(C=CC=CC(N)=O)c1.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-15-11-7-4-6-10(9-11)5-2-3-8-12(13)14;/h2-9H,1H3,(H2,13,14);1H
InChIKeyPMJNDHOSJWEBLN-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.17
Rot. Bonds4

About 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride

5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride (PubChem CID 141059857) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride.

Molecular Properties

Compound Name5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
PubChem CID141059857
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
SMILESCOc1cccc(C=CC=CC(N)=O)c1.Cl
InChIInChI=1S/C12H13NO2.ClH/c1-15-11-7-4-6-10(9-11)5-2-3-8-12(13)14;/h2-9H,1H3,(H2,13,14);1H
InChIKeyPMJNDHOSJWEBLN-UHFFFAOYSA-N
XLogP2.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
(1Z,4E,6Z)-1-(3-methoxyphenyl)-7-phenylhepta-1,4,6-trien-3-one
CID 92522947
(1E,4E,6E)-7-(3-hydroxyphenyl)-1-(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 90682173
N-(diaminomethylidene)-3-(3-methoxyphenyl)prop-2-enamide
CID 69436299
(4-carbamoylphenyl) (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8803322
(E)-3-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 5375231
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 135304981
(1E,6E)-5-hydroxy-1,7-bis(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 136703950
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride?
The IUPAC name of 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride (CID 141059857) is 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride.
What is the SMILES notation for 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride?
The canonical SMILES for 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride is COc1cccc(C=CC=CC(N)=O)c1.Cl.
What is the InChIKey of 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride?
The InChIKey is PMJNDHOSJWEBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.ClH/c1-15-11-7-4-6-10(9-11)5-2-3-8-12(13)14;/h2-9H,1H3,(H2,13,14);1H.
What are the key properties of 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride?
5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride is sourced from PubChem (CID 141059857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).