N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide

C11H12ClN3 — CID 129438137

IUPACN'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
SMILESC/C(C=NN=C(N)c1ccccc1)=C/Cl
InChIInChI=1S/C11H12ClN3/c1-9(7-12)8-14-15-11(13)10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,15)/b9-7-,14-8?
InChIKeyDOQMSOOXPLZCSO-XDJJLJGWSA-N
MW221.69 g/mol
LogP2.52
Rot. Bonds3

About N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide

N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide (PubChem CID 129438137) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
PubChem CID129438137
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC NameN'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide
SMILESC/C(C=NN=C(N)c1ccccc1)=C/Cl
InChIInChI=1S/C11H12ClN3/c1-9(7-12)8-14-15-11(13)10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,15)/b9-7-,14-8?
InChIKeyDOQMSOOXPLZCSO-XDJJLJGWSA-N
XLogP2.52
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
N'-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenecarboximidamide
CID 22610708
2-[(E)-[(Z)-3-chloro-2-methyl-3-phenylprop-2-enylidene]amino]guanidine
CID 25147765
N'-[(E)-butan-2-ylideneamino]benzenecarboximidamide
CID 23272403
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
N'-(cinnamylideneamino)benzenecarboximidamide;hydroiodide
CID 45048663
[(E)-1-chloroprop-1-en-2-yl]benzene
CID 12504275
N'-[(E)-3,3-diphenylprop-2-enylideneamino]-4-hydroxybenzenecarboximidamide
CID 135627037
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
[amino(phenyl)methylidene]carbamic acid
CID 54409873
acetyl chloride;benzamide
CID 160666659

Frequently Asked Questions

What is the IUPAC name of N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide?
The IUPAC name of N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide (CID 129438137) is N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide.
What is the SMILES notation for N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide?
The canonical SMILES for N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide is C/C(C=NN=C(N)c1ccccc1)=C/Cl.
What is the InChIKey of N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide?
The InChIKey is DOQMSOOXPLZCSO-XDJJLJGWSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-9(7-12)8-14-15-11(13)10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,15)/b9-7-,14-8?.
What are the key properties of N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide?
N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide has a molecular weight of 221.69 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(Z)-3-chloro-2-methylprop-2-enylidene]amino]benzenecarboximidamide is sourced from PubChem (CID 129438137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).