(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide

C11H15NO2 — CID 143141302

IUPAC(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)C(C)(C)C(=O)N=O
InChIInChI=1S/C11H15NO2/c1-5-7-9(8-6-2)11(3,4)10(13)12-14/h5-8H,1H2,2-4H3/b8-6-,9-7+
InChIKeyQTCZGOLJUGTFIM-MKKAVFGOSA-N
MW193.25 g/mol
LogP2.99
Rot. Bonds4

About (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide

(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide (PubChem CID 143141302) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide.

Molecular Properties

Compound Name(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
PubChem CID143141302
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
SMILESC=C/C=C(\C=C/C)C(C)(C)C(=O)N=O
InChIInChI=1S/C11H15NO2/c1-5-7-9(8-6-2)11(3,4)10(13)12-14/h5-8H,1H2,2-4H3/b8-6-,9-7+
InChIKeyQTCZGOLJUGTFIM-MKKAVFGOSA-N
XLogP2.99
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057
(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001360
ethane;(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001359
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
CID 143265988
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
CID 155337310
ethane;(4E)-3-ethyl-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-imine
CID 164862576
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
(3E)-2-methyl-2-propan-2-ylsulfanyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine
CID 170030412
(E)-5,5-dimethylhept-2-en-4-one
CID 88902655

Frequently Asked Questions

What is the IUPAC name of (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The IUPAC name of (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide (CID 143141302) is (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide.
What is the SMILES notation for (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The canonical SMILES for (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide is C=C/C=C(\C=C/C)C(C)(C)C(=O)N=O.
What is the InChIKey of (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
The InChIKey is QTCZGOLJUGTFIM-MKKAVFGOSA-N. The full InChI is InChI=1S/C11H15NO2/c1-5-7-9(8-6-2)11(3,4)10(13)12-14/h5-8H,1H2,2-4H3/b8-6-,9-7+.
What are the key properties of (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide?
(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide has a molecular weight of 193.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide is sourced from PubChem (CID 143141302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).