N'-(1-chloroethenyl)-N-methylidenemethanimidamide

C4H5ClN2 — CID 91023125

IUPACN'-(1-chloroethenyl)-N-methylidenemethanimidamide
SMILESC=NC=NC(=C)Cl
InChIInChI=1S/C4H5ClN2/c1-4(5)7-3-6-2/h3H,1-2H2
InChIKeyMSOCPRKIMVXLBC-UHFFFAOYSA-N
MW116.55 g/mol
LogP1.43
Rot. Bonds2

About N'-(1-chloroethenyl)-N-methylidenemethanimidamide

N'-(1-chloroethenyl)-N-methylidenemethanimidamide (PubChem CID 91023125) has the molecular formula C4H5ClN2 and a molecular weight of 116.55 g/mol. Its IUPAC name is N'-(1-chloroethenyl)-N-methylidenemethanimidamide.

Molecular Properties

Compound NameN'-(1-chloroethenyl)-N-methylidenemethanimidamide
PubChem CID91023125
Molecular FormulaC4H5ClN2
Molecular Weight116.55 g/mol
Exact Mass116.01
IUPAC NameN'-(1-chloroethenyl)-N-methylidenemethanimidamide
SMILESC=NC=NC(=C)Cl
InChIInChI=1S/C4H5ClN2/c1-4(5)7-3-6-2/h3H,1-2H2
InChIKeyMSOCPRKIMVXLBC-UHFFFAOYSA-N
XLogP1.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.55
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N'-(1-chloroethenyl)methanimidamide
CID 123794838
N'-(1-chloroethenyl)-N-methylethane-1,2-diimine
CID 91227377
1-chloroethenyliminomethyl-methyl-methylideneazanium
CID 123661735
N'-[1-[ethyl(methyl)amino]ethenyl]-N-methylidenemethanimidamide
CID 143488080
N'-[(E)-1-fluoro-2-hydroxypent-2-en-3-yl]-N-methylidenemethanimidamide
CID 143740875
N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
CID 130242785
N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride
CID 142861453
N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
CID 142925929
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
CID 154656713
(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
CID 153356245
N'-[1-(3,5-dimethyl-2-propan-2-ylcyclopenta-1,4-dien-1-yl)ethenyl]-N-methylidenemethanimidamide
CID 166933533
2-bromo-3-chlorobuta-1,3-diene
CID 12636267

Frequently Asked Questions

What is the IUPAC name of N'-(1-chloroethenyl)-N-methylidenemethanimidamide?
The IUPAC name of N'-(1-chloroethenyl)-N-methylidenemethanimidamide (CID 91023125) is N'-(1-chloroethenyl)-N-methylidenemethanimidamide.
What is the SMILES notation for N'-(1-chloroethenyl)-N-methylidenemethanimidamide?
The canonical SMILES for N'-(1-chloroethenyl)-N-methylidenemethanimidamide is C=NC=NC(=C)Cl.
What is the InChIKey of N'-(1-chloroethenyl)-N-methylidenemethanimidamide?
The InChIKey is MSOCPRKIMVXLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2/c1-4(5)7-3-6-2/h3H,1-2H2.
What are the key properties of N'-(1-chloroethenyl)-N-methylidenemethanimidamide?
N'-(1-chloroethenyl)-N-methylidenemethanimidamide has a molecular weight of 116.55 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-chloroethenyl)-N-methylidenemethanimidamide is sourced from PubChem (CID 91023125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).