(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide

C13H19NO2 — CID 173486149

IUPAC(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide
SMILESCC=C/C(=C\C)C(=O)N/C(=C/C)C(O)=CC
InChIInChI=1S/C13H19NO2/c1-5-9-10(6-2)13(16)14-11(7-3)12(15)8-4/h5-9,15H,1-4H3,(H,14,16)/b9-5?,10-6+,11-7+,12-8?
InChIKeyMHPRZPIKFQVLQM-DAUCZPMESA-N
MW221.30 g/mol
LogP2.99
Rot. Bonds4

About (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide

(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide (PubChem CID 173486149) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide
PubChem CID173486149
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide
SMILESCC=C/C(=C\C)C(=O)N/C(=C/C)C(O)=CC
InChIInChI=1S/C13H19NO2/c1-5-9-10(6-2)13(16)14-11(7-3)12(15)8-4/h5-9,15H,1-4H3,(H,14,16)/b9-5?,10-6+,11-7+,12-8?
InChIKeyMHPRZPIKFQVLQM-DAUCZPMESA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
(2E)-2-ethylidenepent-3-enoic acid
CID 162183190
N'-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]propanediamide
CID 143768623
N,N'-bis[(E)-but-2-enoyl]oxamide
CID 22157614
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
CID 145162824
[(2E,4Z,5E)-4-(2-methylprop-2-enylidene)-5-[(Z)-prop-1-enyl]octa-2,5-dien-3-yl]carbamic acid
CID 129050133
(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
CID 163760417
(2E,4E,6E,8Z)-4-ethylidene-3-hydroxy-6-[(Z)-prop-1-enyl]deca-2,6,8-trien-5-one
CID 142047884
(E)-but-2-enoic acid
CID 637090
2-prop-1-enylbut-2-enedioic acid
CID 57025345
hepta-2,5-dien-4-one
CID 54179619
N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]-3,4-dimethylbenzamide
CID 145169838

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide?
The IUPAC name of (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide (CID 173486149) is (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide.
What is the SMILES notation for (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide?
The canonical SMILES for (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide is CC=C/C(=C\C)C(=O)N/C(=C/C)C(O)=CC.
What is the InChIKey of (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide?
The InChIKey is MHPRZPIKFQVLQM-DAUCZPMESA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-9-10(6-2)13(16)14-11(7-3)12(15)8-4/h5-9,15H,1-4H3,(H,14,16)/b9-5?,10-6+,11-7+,12-8?.
What are the key properties of (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide?
(2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide has a molecular weight of 221.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N-[(2E)-4-hydroxyhexa-2,4-dien-3-yl]pent-3-enamide is sourced from PubChem (CID 173486149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).