(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol

C11H19NO — CID 142908016

IUPAC(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/N)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-9(13)7-8-11(12)10-5-3-2-4-6-10/h7-8,10,13H,2-6,12H2,1H3/b9-7+,11-8-
InChIKeyVQAGLFIQLCPNLM-BGZVTZOUSA-N
MW181.28 g/mol
LogP2.87
Rot. Bonds2

About (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol

(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol (PubChem CID 142908016) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol
PubChem CID142908016
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/N)C1CCCCC1
InChIInChI=1S/C11H19NO/c1-9(13)7-8-11(12)10-5-3-2-4-6-10/h7-8,10,13H,2-6,12H2,1H3/b9-7+,11-8-
InChIKeyVQAGLFIQLCPNLM-BGZVTZOUSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(E)-3-cyclopentylbut-2-en-2-amine
CID 174028548
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4-amino-3-cyclohexyl-2-methyl-4-oxobut-2-enoic acid
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(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol
CID 153355576
3-cyclohexyl-2-methylbut-2-enamide
CID 70347736
(E)-3-cyclohexylbut-2-enoic acid
CID 6537440
[(E)-1-bromoprop-1-en-2-yl]cyclohexane
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CID 142840542

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol (CID 142908016) is (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol is C/C(O)=C\C=C(/N)C1CCCCC1.
What is the InChIKey of (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol?
The InChIKey is VQAGLFIQLCPNLM-BGZVTZOUSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(13)7-8-11(12)10-5-3-2-4-6-10/h7-8,10,13H,2-6,12H2,1H3/b9-7+,11-8-.
What are the key properties of (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol?
(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol has a molecular weight of 181.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol is sourced from PubChem (CID 142908016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).