(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide

C14H21NO — CID 10932951

IUPAC(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide
SMILESC=C/C=C/CCN(CC(=C)C)C(=O)/C=C/C
InChIInChI=1S/C14H21NO/c1-5-7-8-9-11-15(12-13(3)4)14(16)10-6-2/h5-8,10H,1,3,9,11-12H2,2,4H3/b8-7+,10-6+
InChIKeyMBJDAKSLDLRFRC-IQXTZUCASA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds7

About (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide

(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide (PubChem CID 10932951) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide
PubChem CID10932951
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide
SMILESC=C/C=C/CCN(CC(=C)C)C(=O)/C=C/C
InChIInChI=1S/C14H21NO/c1-5-7-8-9-11-15(12-13(3)4)14(16)10-6-2/h5-8,10H,1,3,9,11-12H2,2,4H3/b8-7+,10-6+
InChIKeyMBJDAKSLDLRFRC-IQXTZUCASA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N-dipropylbut-2-enamide
CID 21329403
dodeca-2,7,9,11-tetraen-4-one
CID 168893799
N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
(3E)-8-methylnona-1,3,7-triene
CID 16752433
(3Z,5Z,8Z)-N,N-dimethyl-7-methylidenedeca-3,5,8-trien-1-amine
CID 155374096
N-hexa-3,5-dienylacetamide
CID 59663062
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
hexa-1,3-diene;4-methylidenehex-2-ene
CID 174375907
trideca-5,7,10,12-tetraen-2-one
CID 175909143
(Z)-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methanimidoylbut-2-enamide
CID 134505058
(Z)-but-2-ene;(3E)-hexa-3,5-dien-1-amine
CID 143033225
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide?
The IUPAC name of (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide (CID 10932951) is (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide.
What is the SMILES notation for (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide?
The canonical SMILES for (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide is C=C/C=C/CCN(CC(=C)C)C(=O)/C=C/C.
What is the InChIKey of (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide?
The InChIKey is MBJDAKSLDLRFRC-IQXTZUCASA-N. The full InChI is InChI=1S/C14H21NO/c1-5-7-8-9-11-15(12-13(3)4)14(16)10-6-2/h5-8,10H,1,3,9,11-12H2,2,4H3/b8-7+,10-6+.
What are the key properties of (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide?
(E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide has a molecular weight of 219.33 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3E)-hexa-3,5-dienyl]-N-(2-methylprop-2-enyl)but-2-enamide is sourced from PubChem (CID 10932951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).