(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide

C12H15NO2 — CID 167044828

IUPAC(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide
SMILESC=C/C(=C\C=C/C)N(C=O)C(=O)/C=C\C
InChIInChI=1S/C12H15NO2/c1-4-7-9-11(6-3)13(10-14)12(15)8-5-2/h4-10H,3H2,1-2H3/b7-4-,8-5-,11-9+
InChIKeyDOFIRXRWHLTWIY-ZMEVEVTJSA-N
MW205.26 g/mol
LogP2.19
Rot. Bonds5

About (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide

(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide (PubChem CID 167044828) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide
PubChem CID167044828
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide
SMILESC=C/C(=C\C=C/C)N(C=O)C(=O)/C=C\C
InChIInChI=1S/C12H15NO2/c1-4-7-9-11(6-3)13(10-14)12(15)8-5-2/h4-10H,3H2,1-2H3/b7-4-,8-5-,11-9+
InChIKeyDOFIRXRWHLTWIY-ZMEVEVTJSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide?
The IUPAC name of (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide (CID 167044828) is (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide.
What is the SMILES notation for (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide?
The canonical SMILES for (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide is C=C/C(=C\C=C/C)N(C=O)C(=O)/C=C\C.
What is the InChIKey of (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide?
The InChIKey is DOFIRXRWHLTWIY-ZMEVEVTJSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-7-9-11(6-3)13(10-14)12(15)8-5-2/h4-10H,3H2,1-2H3/b7-4-,8-5-,11-9+.
What are the key properties of (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide?
(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide is sourced from PubChem (CID 167044828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).