N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine

C11H12ClN3 — CID 142492833

IUPACN-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
SMILESC=C(/N=C\C=C(/C)c1cccnc1)NCl
InChIInChI=1S/C11H12ClN3/c1-9(5-7-14-10(2)15-12)11-4-3-6-13-8-11/h3-8,15H,2H2,1H3/b9-5+,14-7-
InChIKeyFUVGIXFLNJBJSF-NLXGQYKLSA-N
MW221.69 g/mol
LogP2.77
Rot. Bonds4

About N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine

N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine (PubChem CID 142492833) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine.

Molecular Properties

Compound NameN-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
PubChem CID142492833
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC NameN-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine
SMILESC=C(/N=C\C=C(/C)c1cccnc1)NCl
InChIInChI=1S/C11H12ClN3/c1-9(5-7-14-10(2)15-12)11-4-3-6-13-8-11/h3-8,15H,2H2,1H3/b9-5+,14-7-
InChIKeyFUVGIXFLNJBJSF-NLXGQYKLSA-N
XLogP2.77
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane
CID 169200028
(2E,4E)-5-pyridin-3-ylhexa-2,4-dienoic acid
CID 116822591
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
5-pyridin-3-ylhex-4-en-1-amine
CID 57174688
N'-methyl-N-[(2E)-penta-2,4-dien-2-yl]pyridine-3-carboximidamide
CID 135127908
4-[(Z)-2-pyridin-3-ylprop-1-enyl]benzoic acid
CID 139662210
3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
CID 130370265
3-[(E)-5-methylhex-2-en-2-yl]pyridine
CID 18346839
1-pyridin-3-ylethanethione
CID 11815891
N-[(Z)-propylideneamino]-1-pyridin-3-ylethenamine
CID 143941163
methanesulfonic acid;2-pyridin-3-ylprop-2-enamide
CID 174863919

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine?
The IUPAC name of N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine (CID 142492833) is N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine.
What is the SMILES notation for N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine?
The canonical SMILES for N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine is C=C(/N=C\C=C(/C)c1cccnc1)NCl.
What is the InChIKey of N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine?
The InChIKey is FUVGIXFLNJBJSF-NLXGQYKLSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-9(5-7-14-10(2)15-12)11-4-3-6-13-8-11/h3-8,15H,2H2,1H3/b9-5+,14-7-.
What are the key properties of N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine?
N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine has a molecular weight of 221.69 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-[(Z)-[(E)-3-pyridin-3-ylbut-2-enylidene]amino]ethenamine is sourced from PubChem (CID 142492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).