N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide

C12H17NO — CID 145160973

IUPACN-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
SMILESC=CC(=O)NCC(/C=C\C)=C/C=C\C
InChIInChI=1S/C12H17NO/c1-4-7-9-11(8-5-2)10-13-12(14)6-3/h4-9H,3,10H2,1-2H3,(H,13,14)/b7-4-,8-5-,11-9+
InChIKeyVUBXMPZFGDXZII-ZMEVEVTJSA-N
MW191.27 g/mol
LogP2.37
Rot. Bonds5

About N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide

N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide (PubChem CID 145160973) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
PubChem CID145160973
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
SMILESC=CC(=O)NCC(/C=C\C)=C/C=C\C
InChIInChI=1S/C12H17NO/c1-4-7-9-11(8-5-2)10-13-12(14)6-3/h4-9H,3,10H2,1-2H3,(H,13,14)/b7-4-,8-5-,11-9+
InChIKeyVUBXMPZFGDXZII-ZMEVEVTJSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

phosphanyl N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]carbamate
CID 139323610
N-[(3E,5Z)-2-methylimino-3-prop-1-en-2-ylhepta-3,5-dienyl]prop-2-enamide
CID 168906180
ethane;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 144617318
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
1-(4-chlorophenyl)-3-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]urea
CID 135231061
(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
CID 130311674
2-[[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]propan-1-ol
CID 143177152
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
CID 89005604
(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 146639818

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide?
The IUPAC name of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide (CID 145160973) is N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide.
What is the SMILES notation for N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide?
The canonical SMILES for N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide is C=CC(=O)NCC(/C=C\C)=C/C=C\C.
What is the InChIKey of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide?
The InChIKey is VUBXMPZFGDXZII-ZMEVEVTJSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-7-9-11(8-5-2)10-13-12(14)6-3/h4-9H,3,10H2,1-2H3,(H,13,14)/b7-4-,8-5-,11-9+.
What are the key properties of N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide?
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide has a molecular weight of 191.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide is sourced from PubChem (CID 145160973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).