(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol

C8H11N3O — CID 124638933

IUPAC(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol
SMILESN/C(=C\[C@H](N)O)c1ccccn1
InChIInChI=1S/C8H11N3O/c9-6(5-8(10)12)7-3-1-2-4-11-7/h1-5,8,12H,9-10H2/b6-5-/t8-/m1/s1
InChIKeyZVIYJIDKEJDBFD-RPSMYOMKSA-N
MW165.20 g/mol
LogP-0.34
Rot. Bonds2

About (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol

(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol (PubChem CID 124638933) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol
PubChem CID124638933
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol
SMILESN/C(=C\[C@H](N)O)c1ccccn1
InChIInChI=1S/C8H11N3O/c9-6(5-8(10)12)7-3-1-2-4-11-7/h1-5,8,12H,9-10H2/b6-5-/t8-/m1/s1
InChIKeyZVIYJIDKEJDBFD-RPSMYOMKSA-N
XLogP-0.34
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
(E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one
CID 818325
(Z)-2-[amino(ethyl)amino]-1-pyridin-2-ylethenamine
CID 171522165
N'-aminopyridine-2-carboximidamide
CID 5464234
pyridine-2-carbothioamide;hydrochloride
CID 57440257
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136

Frequently Asked Questions

What is the IUPAC name of (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol?
The IUPAC name of (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol (CID 124638933) is (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol.
What is the SMILES notation for (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol?
The canonical SMILES for (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol is N/C(=C\[C@H](N)O)c1ccccn1.
What is the InChIKey of (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol?
The InChIKey is ZVIYJIDKEJDBFD-RPSMYOMKSA-N. The full InChI is InChI=1S/C8H11N3O/c9-6(5-8(10)12)7-3-1-2-4-11-7/h1-5,8,12H,9-10H2/b6-5-/t8-/m1/s1.
What are the key properties of (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol?
(Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol has a molecular weight of 165.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R)-1,3-diamino-3-pyridin-2-ylprop-2-en-1-ol is sourced from PubChem (CID 124638933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).