(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide

C10H15NO — CID 89285655

IUPAC(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide
SMILESC/C=C\C(\C=C\C(N)=O)=C/CC
InChIInChI=1S/C10H15NO/c1-3-5-9(6-4-2)7-8-10(11)12/h3,5-8H,4H2,1-2H3,(H2,11,12)/b5-3-,8-7+,9-6+
InChIKeyNHVBPODITIRPGT-RJYZPCDXSA-N
MW165.24 g/mol
LogP1.94
Rot. Bonds4

About (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide

(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide (PubChem CID 89285655) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide
PubChem CID89285655
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide
SMILESC/C=C\C(\C=C\C(N)=O)=C/CC
InChIInChI=1S/C10H15NO/c1-3-5-9(6-4-2)7-8-10(11)12/h3,5-8H,4H2,1-2H3,(H2,11,12)/b5-3-,8-7+,9-6+
InChIKeyNHVBPODITIRPGT-RJYZPCDXSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.94
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

4-propylidenehepta-2,5-dienedioic acid
CID 91543446
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
(E)-but-2-enamide;ethane
CID 145356551
2-[(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienylidene]propanedial
CID 142006817
but-2-enamide;but-2-enedioic acid
CID 159670404
(E)-2-[(E)-prop-1-enyl]pent-2-enoic acid
CID 14178880
ethyl (E)-2-[(E)-prop-1-enyl]pent-2-enoate
CID 46873133
(E)-4-oxohex-2-enamide
CID 153226355
(Z)-2-aminopent-2-enamide
CID 19089602
ethyl (E)-but-2-enoate;methanamine
CID 88817268
(2Z)-nona-2,6-dienamide
CID 87394391
icosa-2,5,8,11,14,17-hexaenamide
CID 91451907

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide?
The IUPAC name of (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide (CID 89285655) is (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide is C/C=C\C(\C=C\C(N)=O)=C/CC.
What is the InChIKey of (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide?
The InChIKey is NHVBPODITIRPGT-RJYZPCDXSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-9(6-4-2)7-8-10(11)12/h3,5-8H,4H2,1-2H3,(H2,11,12)/b5-3-,8-7+,9-6+.
What are the key properties of (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide?
(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide has a molecular weight of 165.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4-dienamide is sourced from PubChem (CID 89285655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).