(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol

C11H16N2O — CID 168919604

IUPAC(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol
SMILESCC(O)/C(=C\C=C/N)C1=CCNC=C1
InChIInChI=1S/C11H16N2O/c1-9(14)11(3-2-6-12)10-4-7-13-8-5-10/h2-7,9,13-14H,8,12H2,1H3/b6-2-,11-3+
InChIKeyDIIYYLLOODHNJA-HNDNHIBWSA-N
MW192.26 g/mol
LogP0.81
Rot. Bonds3

About (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol

(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol (PubChem CID 168919604) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol
PubChem CID168919604
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol
SMILESCC(O)/C(=C\C=C/N)C1=CCNC=C1
InChIInChI=1S/C11H16N2O/c1-9(14)11(3-2-6-12)10-4-7-13-8-5-10/h2-7,9,13-14H,8,12H2,1H3/b6-2-,11-3+
InChIKeyDIIYYLLOODHNJA-HNDNHIBWSA-N
XLogP0.81
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-Azatricyclo[9.4.0.03,8]pentadeca-1,3(8),6,10,12,14-hexaen-9-ol
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5-Methyl-3-(methylamino)cyclohexa-2,4-dien-1-ol
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CID 144091486
ethane;5-methyl-4-[[(E)-2-(2,3,6,7-tetrahydro-1H-azepin-4-yl)ethenyl]amino]cyclohexa-2,4-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol?
The IUPAC name of (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol (CID 168919604) is (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol.
What is the SMILES notation for (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol?
The canonical SMILES for (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol is CC(O)/C(=C\C=C/N)C1=CCNC=C1.
What is the InChIKey of (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol?
The InChIKey is DIIYYLLOODHNJA-HNDNHIBWSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(14)11(3-2-6-12)10-4-7-13-8-5-10/h2-7,9,13-14H,8,12H2,1H3/b6-2-,11-3+.
What are the key properties of (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol?
(3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol has a molecular weight of 192.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-amino-3-(1,2-dihydropyridin-4-yl)hexa-3,5-dien-2-ol is sourced from PubChem (CID 168919604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).