N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride

C6H8Cl2N2O — CID 163697745

IUPACN'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride
SMILESC=NC(Cl)=N/C(OC)=C(\C)Cl
InChIInChI=1S/C6H8Cl2N2O/c1-4(7)5(11-3)10-6(8)9-2/h2H2,1,3H3/b5-4-,10-6?
InChIKeyJYIXGKZRVDBBML-FDCSGBFTSA-N
MW195.05 g/mol
LogP2.36
Rot. Bonds2

About N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride

N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride (PubChem CID 163697745) has the molecular formula C6H8Cl2N2O and a molecular weight of 195.05 g/mol. Its IUPAC name is N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride.

Molecular Properties

Compound NameN'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride
PubChem CID163697745
Molecular FormulaC6H8Cl2N2O
Molecular Weight195.05 g/mol
Exact Mass194.00
IUPAC NameN'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride
SMILESC=NC(Cl)=N/C(OC)=C(\C)Cl
InChIInChI=1S/C6H8Cl2N2O/c1-4(7)5(11-3)10-6(8)9-2/h2H2,1,3H3/b5-4-,10-6?
InChIKeyJYIXGKZRVDBBML-FDCSGBFTSA-N
XLogP2.36
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride?
The IUPAC name of N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride (CID 163697745) is N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride.
What is the SMILES notation for N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride?
The canonical SMILES for N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride is C=NC(Cl)=N/C(OC)=C(\C)Cl.
What is the InChIKey of N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride?
The InChIKey is JYIXGKZRVDBBML-FDCSGBFTSA-N. The full InChI is InChI=1S/C6H8Cl2N2O/c1-4(7)5(11-3)10-6(8)9-2/h2H2,1,3H3/b5-4-,10-6?.
What are the key properties of N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride?
N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride has a molecular weight of 195.05 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-chloro-1-methoxyprop-1-enyl]-N-methylidenecarbamimidoyl chloride is sourced from PubChem (CID 163697745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).