(2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide

C11H19NO2 — CID 15828956

IUPAC(2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide
SMILESCC(O)C/C=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)12-11(14)8-6-4-5-7-10(3)13/h4-6,8-10,13H,7H2,1-3H3,(H,12,14)/b5-4+,8-6+
InChIKeyCVPJCDWFCQYASN-DVBIZMGNSA-N
MW197.28 g/mol
LogP1.39
Rot. Bonds5

About (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide

(2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide (PubChem CID 15828956) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide
PubChem CID15828956
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide
SMILESCC(O)C/C=C/C=C/C(=O)NC(C)C
InChIInChI=1S/C11H19NO2/c1-9(2)12-11(14)8-6-4-5-7-10(3)13/h4-6,8-10,13H,7H2,1-3H3,(H,12,14)/b5-4+,8-6+
InChIKeyCVPJCDWFCQYASN-DVBIZMGNSA-N
XLogP1.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide?
The IUPAC name of (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide (CID 15828956) is (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide?
The canonical SMILES for (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide is CC(O)C/C=C/C=C/C(=O)NC(C)C.
What is the InChIKey of (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide?
The InChIKey is CVPJCDWFCQYASN-DVBIZMGNSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)12-11(14)8-6-4-5-7-10(3)13/h4-6,8-10,13H,7H2,1-3H3,(H,12,14)/b5-4+,8-6+.
What are the key properties of (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide?
(2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide has a molecular weight of 197.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-7-hydroxy-N-propan-2-ylocta-2,4-dienamide is sourced from PubChem (CID 15828956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).