ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten

C11H20NOW- — CID 178102306

IUPACethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten
SMILESC/[C-]=C(/C=C\C)NC(=O)CC.CC.[W]
InChIInChI=1S/C9H14NO.C2H6.W/c1-4-7-8(5-2)10-9(11)6-3;1-2;/h4,7H,6H2,1-3H3,(H,10,11);1-2H3;/q-1;;/b7-4-;;
InChIKeyRFSRMXSNVGKMLX-XIFWRFGDSA-N
MW366.13 g/mol
LogP2.82
Rot. Bonds3

About ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten

ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten (PubChem CID 178102306) has the molecular formula C11H20NOW- and a molecular weight of 366.13 g/mol. Its IUPAC name is ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten.

Molecular Properties

Compound Nameethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten
PubChem CID178102306
Molecular FormulaC11H20NOW-
Molecular Weight366.13 g/mol
Exact Mass366.11
IUPAC Nameethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten
SMILESC/[C-]=C(/C=C\C)NC(=O)CC.CC.[W]
InChIInChI=1S/C9H14NO.C2H6.W/c1-4-7-8(5-2)10-9(11)6-3;1-2;/h4,7H,6H2,1-3H3,(H,10,11);1-2H3;/q-1;;/b7-4-;;
InChIKeyRFSRMXSNVGKMLX-XIFWRFGDSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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ethane;N-[(3E,5Z)-octa-3,5,7-trien-4-yl]acetamide
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(4Z)-2,3-dimethylhexa-2,4-diene;ethane;ethene;methane;N-propylpropanamide
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N-[(Z)-2-amino-1,2-dicyanoethenyl]propanamide
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CID 168915507

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten?
The IUPAC name of ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten (CID 178102306) is ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten.
What is the SMILES notation for ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten?
The canonical SMILES for ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten is C/[C-]=C(/C=C\C)NC(=O)CC.CC.[W].
What is the InChIKey of ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten?
The InChIKey is RFSRMXSNVGKMLX-XIFWRFGDSA-N. The full InChI is InChI=1S/C9H14NO.C2H6.W/c1-4-7-8(5-2)10-9(11)6-3;1-2;/h4,7H,6H2,1-3H3,(H,10,11);1-2H3;/q-1;;/b7-4-;;.
What are the key properties of ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten?
ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten has a molecular weight of 366.13 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4Z)-hexa-2,4-dien-3-yl]propanamide;tungsten is sourced from PubChem (CID 178102306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).