2-methyl-N-prop-1-enylprop-2-enimidoyl chloride

C7H10ClN — CID 123553700

IUPAC2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N/C=CC
InChIInChI=1S/C7H10ClN/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3/b5-4?,9-7-
InChIKeyAJDYMCUDSGRCBX-HFOWNTLMSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride

2-methyl-N-prop-1-enylprop-2-enimidoyl chloride (PubChem CID 123553700) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride.

Molecular Properties

Compound Name2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
PubChem CID123553700
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
SMILESC=C(C)/C(Cl)=N/C=CC
InChIInChI=1S/C7H10ClN/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3/b5-4?,9-7-
InChIKeyAJDYMCUDSGRCBX-HFOWNTLMSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-3-methyl-1-azacyclohepta-1,3,4,6-tetraene
CID 89031882
(Z)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 89035223
(Z)-N,2-dimethyl-3-(methylideneamino)prop-2-enimidoyl chloride
CID 89965327
N-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
N-[(Z)-prop-1-enyl]prop-2-enimidoyl chloride
CID 123302695
N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123623345
N-prop-1-enylprop-2-enimidoyl chloride
CID 123895156
(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
CID 129215809
(Z)-N-ethyl-2-methylbut-2-enimidoyl chloride
CID 138459578
2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidoyl chloride
CID 141818136
(E)-3-chloro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 142010081
N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride
CID 144733147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride?
The IUPAC name of 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride (CID 123553700) is 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride.
What is the SMILES notation for 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride?
The canonical SMILES for 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride is C=C(C)/C(Cl)=N/C=CC.
What is the InChIKey of 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride?
The InChIKey is AJDYMCUDSGRCBX-HFOWNTLMSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-5-9-7(8)6(2)3/h4-5H,2H2,1,3H3/b5-4?,9-7-.
What are the key properties of 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride?
2-methyl-N-prop-1-enylprop-2-enimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-1-enylprop-2-enimidoyl chloride is sourced from PubChem (CID 123553700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).