(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine

C10H11N3 — CID 155726107

IUPAC(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
SMILESC=N/N=C\C(=C/C)c1ccccn1
InChIInChI=1S/C10H11N3/c1-3-9(8-13-11-2)10-6-4-5-7-12-10/h3-8H,2H2,1H3/b9-3+,13-8-
InChIKeyACWBOFNVRNCGRF-JHEHZKLWSA-N
MW173.22 g/mol
LogP2.17
Rot. Bonds3

About (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine

(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine (PubChem CID 155726107) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
PubChem CID155726107
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
SMILESC=N/N=C\C(=C/C)c1ccccn1
InChIInChI=1S/C10H11N3/c1-3-9(8-13-11-2)10-6-4-5-7-12-10/h3-8H,2H2,1H3/b9-3+,13-8-
InChIKeyACWBOFNVRNCGRF-JHEHZKLWSA-N
XLogP2.17
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
CID 142517593
(Z,Z)-2-pyridin-2-yl-N-[1-(1-pyridin-2-ylethoxy)ethenyl]but-2-en-1-imine
CID 142517548
(Z)-N-(methylideneamino)-1-pyridin-2-ylprop-1-en-1-amine
CID 144731406
N,N-dimethyl-2-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethoxy]ethanamine
CID 142517363
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713
ethene;4-methoxy-N-[(E)-2-methyl-1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]but-1-enyl]benzamide
CID 142517519
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
ethane;1-methyl-N-[1-[(Z)-[(Z)-2-pyridin-2-ylbut-2-enylidene]amino]ethyl]imidazole-2-carboxamide;molecular hydrogen
CID 142517408
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine?
The IUPAC name of (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine (CID 155726107) is (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine is C=N/N=C\C(=C/C)c1ccccn1.
What is the InChIKey of (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine?
The InChIKey is ACWBOFNVRNCGRF-JHEHZKLWSA-N. The full InChI is InChI=1S/C10H11N3/c1-3-9(8-13-11-2)10-6-4-5-7-12-10/h3-8H,2H2,1H3/b9-3+,13-8-.
What are the key properties of (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine?
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine has a molecular weight of 173.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine is sourced from PubChem (CID 155726107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).