N-ethenyl-2-methylidenebutanimidoyl chloride

C7H10ClN — CID 178177794

IUPACN-ethenyl-2-methylidenebutanimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)CC
InChIInChI=1S/C7H10ClN/c1-4-6(3)7(8)9-5-2/h5H,2-4H2,1H3/b9-7-
InChIKeyGWCXPDPBHGXTHF-CLFYSBASSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds3

About N-ethenyl-2-methylidenebutanimidoyl chloride

N-ethenyl-2-methylidenebutanimidoyl chloride (PubChem CID 178177794) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-ethenyl-2-methylidenebutanimidoyl chloride.

Molecular Properties

Compound NameN-ethenyl-2-methylidenebutanimidoyl chloride
PubChem CID178177794
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-ethenyl-2-methylidenebutanimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)CC
InChIInChI=1S/C7H10ClN/c1-4-6(3)7(8)9-5-2/h5H,2-4H2,1H3/b9-7-
InChIKeyGWCXPDPBHGXTHF-CLFYSBASSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
CID 123553700
(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
CID 129215809
2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl chloride
CID 141818136
ethane;(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245102
ethane;3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610020
N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride
CID 146701421
3-(chloromethyl)-N-ethenylbut-3-en-2-imine
CID 167496148
N-methyl-2-methylidenebutanimidoyl chloride
CID 169586264
3-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 170274527
ethane;N-ethenyl-2-methylidenebutanimidoyl chloride
CID 178177793
(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245103

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-methylidenebutanimidoyl chloride?
The IUPAC name of N-ethenyl-2-methylidenebutanimidoyl chloride (CID 178177794) is N-ethenyl-2-methylidenebutanimidoyl chloride.
What is the SMILES notation for N-ethenyl-2-methylidenebutanimidoyl chloride?
The canonical SMILES for N-ethenyl-2-methylidenebutanimidoyl chloride is C=C/N=C(\Cl)C(=C)CC.
What is the InChIKey of N-ethenyl-2-methylidenebutanimidoyl chloride?
The InChIKey is GWCXPDPBHGXTHF-CLFYSBASSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-6(3)7(8)9-5-2/h5H,2-4H2,1H3/b9-7-.
What are the key properties of N-ethenyl-2-methylidenebutanimidoyl chloride?
N-ethenyl-2-methylidenebutanimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-methylidenebutanimidoyl chloride is sourced from PubChem (CID 178177794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).