(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide

C12H19NO2 — CID 99891210

IUPAC(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-12(15)13-10-6-8-11(14)9-7-10/h2-5,10-11,14H,6-9H2,1H3,(H,13,15)/b3-2+,5-4-
InChIKeyBIMDAIZBYSNNPS-IAROGAJJSA-N
MW209.29 g/mol
LogP1.54
Rot. Bonds3

About (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide

(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide (PubChem CID 99891210) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
PubChem CID99891210
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)NC1CCC(O)CC1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-12(15)13-10-6-8-11(14)9-7-10/h2-5,10-11,14H,6-9H2,1H3,(H,13,15)/b3-2+,5-4-
InChIKeyBIMDAIZBYSNNPS-IAROGAJJSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.54
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 (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide (CID 99891210) is (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide is C/C=C/C=C\C(=O)NC1CCC(O)CC1.
What is the InChIKey of (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide?
The InChIKey is BIMDAIZBYSNNPS-IAROGAJJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-12(15)13-10-6-8-11(14)9-7-10/h2-5,10-11,14H,6-9H2,1H3,(H,13,15)/b3-2+,5-4-.
What are the key properties of (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide?
(2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide has a molecular weight of 209.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-(4-hydroxycyclohexyl)hexa-2,4-dienamide is sourced from PubChem (CID 99891210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).