N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide

C4H8ClN3 — CID 163978449

IUPACN-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(Cl)=C\N
InChIInChI=1S/C4H8ClN3/c1-7-3-8-4(5)2-6/h2-3H,6H2,1H3,(H,7,8)/b4-2-
InChIKeySWFWRAPFCDHVNY-RQOWECAXSA-N
MW133.58 g/mol
LogP0.23
Rot. Bonds2

About N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide

N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide (PubChem CID 163978449) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
PubChem CID163978449
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC NameN-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(Cl)=C\N
InChIInChI=1S/C4H8ClN3/c1-7-3-8-4(5)2-6/h2-3H,6H2,1H3,(H,7,8)/b4-2-
InChIKeySWFWRAPFCDHVNY-RQOWECAXSA-N
XLogP0.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.23
H-Bond Donors ≤ 52
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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide (CID 163978449) is N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide is C/N=C/N/C(Cl)=C\N.
What is the InChIKey of N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide?
The InChIKey is SWFWRAPFCDHVNY-RQOWECAXSA-N. The full InChI is InChI=1S/C4H8ClN3/c1-7-3-8-4(5)2-6/h2-3H,6H2,1H3,(H,7,8)/b4-2-.
What are the key properties of N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide?
N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide has a molecular weight of 133.58 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-amino-1-chloroethenyl]-N'-methylmethanimidamide is sourced from PubChem (CID 163978449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).