(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen

C14H25NO — CID 143436287

IUPAC(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen
SMILESC/C=C\C=C(/C=C\C)C(=O)NC1CC1.CC.[H][H]
InChIInChI=1S/C12H17NO.C2H6.H2/c1-3-5-7-10(6-4-2)12(14)13-11-8-9-11;1-2;/h3-7,11H,8-9H2,1-2H3,(H,13,14);1-2H3;1H/b5-3-,6-4-,10-7+;;
InChIKeyRXZAMAPTOFEIRI-VODCSODSSA-N
MW223.36 g/mol
LogP3.62
Rot. Bonds4

About (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen

(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen (PubChem CID 143436287) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen
PubChem CID143436287
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen
SMILESC/C=C\C=C(/C=C\C)C(=O)NC1CC1.CC.[H][H]
InChIInChI=1S/C12H17NO.C2H6.H2/c1-3-5-7-10(6-4-2)12(14)13-11-8-9-11;1-2;/h3-7,11H,8-9H2,1-2H3,(H,13,14);1-2H3;1H/b5-3-,6-4-,10-7+;;
InChIKeyRXZAMAPTOFEIRI-VODCSODSSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen?
The IUPAC name of (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen (CID 143436287) is (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen.
What is the SMILES notation for (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen?
The canonical SMILES for (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen is C/C=C\C=C(/C=C\C)C(=O)NC1CC1.CC.[H][H].
What is the InChIKey of (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen?
The InChIKey is RXZAMAPTOFEIRI-VODCSODSSA-N. The full InChI is InChI=1S/C12H17NO.C2H6.H2/c1-3-5-7-10(6-4-2)12(14)13-11-8-9-11;1-2;/h3-7,11H,8-9H2,1-2H3,(H,13,14);1-2H3;1H/b5-3-,6-4-,10-7+;;.
What are the key properties of (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen?
(2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen has a molecular weight of 223.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-cyclopropyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienamide;ethane;molecular hydrogen is sourced from PubChem (CID 143436287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).