acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one

C14H23NO2 — CID 143358490

IUPACacetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
SMILESC/C=C\C(=C/C=C/CC)C(=O)CC.CC(N)=O
InChIInChI=1S/C12H18O.C2H5NO/c1-4-7-8-10-11(9-5-2)12(13)6-3;1-2(3)4/h5,7-10H,4,6H2,1-3H3;1H3,(H2,3,4)/b8-7+,9-5-,11-10+;
InChIKeyZSBSWQLTFVBUQW-UUUIYJIUSA-N
MW237.34 g/mol
LogP2.93
Rot. Bonds5

About acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one

acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one (PubChem CID 143358490) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one.

Molecular Properties

Compound Nameacetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
PubChem CID143358490
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameacetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
SMILESC/C=C\C(=C/C=C/CC)C(=O)CC.CC(N)=O
InChIInChI=1S/C12H18O.C2H5NO/c1-4-7-8-10-11(9-5-2)12(13)6-3;1-2(3)4/h5,7-10H,4,6H2,1-3H3;1H3,(H2,3,4)/b8-7+,9-5-,11-10+;
InChIKeyZSBSWQLTFVBUQW-UUUIYJIUSA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
CID 140757697
(2E,4Z)-2-methylhepta-2,4-dienamide
CID 143129883
2-ethylhepta-2,4-dienylurea
CID 89030350
(2E,4E)-2-[(E)-prop-1-enyl]nona-2,4-dienoic acid
CID 143619943
(2E,4Z)-2-[(E)-3-aminoprop-1-enyl]hexa-2,4-dienamide
CID 166872953
(3Z,5E)-octa-3,5-dien-2-one
CID 6428552
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
methyl 2-prop-1-enyltrideca-2,4-dienoate
CID 175883901
(2E,6Z,8Z)-1-[(Z)-but-2-enyl]sulfanyl-3-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylundeca-2,6,8-trien-1-amine
CID 138615109
(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
CID 143012341
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206

Frequently Asked Questions

What is the IUPAC name of acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one?
The IUPAC name of acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one (CID 143358490) is acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one.
What is the SMILES notation for acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one?
The canonical SMILES for acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one is C/C=C\C(=C/C=C/CC)C(=O)CC.CC(N)=O.
What is the InChIKey of acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one?
The InChIKey is ZSBSWQLTFVBUQW-UUUIYJIUSA-N. The full InChI is InChI=1S/C12H18O.C2H5NO/c1-4-7-8-10-11(9-5-2)12(13)6-3;1-2(3)4/h5,7-10H,4,6H2,1-3H3;1H3,(H2,3,4)/b8-7+,9-5-,11-10+;.
What are the key properties of acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one?
acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one has a molecular weight of 237.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one is sourced from PubChem (CID 143358490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).