(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide

C10H13NO — CID 143033510

IUPAC(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide
SMILESC/C=C\C(C#CC(N)=O)=C/CC
InChIInChI=1S/C10H13NO/c1-3-5-9(6-4-2)7-8-10(11)12/h3,5-6H,4H2,1-2H3,(H2,11,12)/b5-3-,9-6+
InChIKeyWQTGZCRBPYPNQX-PAEKIZANSA-N
MW163.22 g/mol
LogP1.39
Rot. Bonds2

About (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide

(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide (PubChem CID 143033510) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide.

Molecular Properties

Compound Name(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide
PubChem CID143033510
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide
SMILESC/C=C\C(C#CC(N)=O)=C/CC
InChIInChI=1S/C10H13NO/c1-3-5-9(6-4-2)7-8-10(11)12/h3,5-6H,4H2,1-2H3,(H2,11,12)/b5-3-,9-6+
InChIKeyWQTGZCRBPYPNQX-PAEKIZANSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide?
The IUPAC name of (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide (CID 143033510) is (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide.
What is the SMILES notation for (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide?
The canonical SMILES for (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide is C/C=C\C(C#CC(N)=O)=C/CC.
What is the InChIKey of (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide?
The InChIKey is WQTGZCRBPYPNQX-PAEKIZANSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-9(6-4-2)7-8-10(11)12/h3,5-6H,4H2,1-2H3,(H2,11,12)/b5-3-,9-6+.
What are the key properties of (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide?
(E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide has a molecular weight of 163.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(Z)-prop-1-enyl]hept-4-en-2-ynamide is sourced from PubChem (CID 143033510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).