N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride

C7H10ClN — CID 144733147

IUPACN-(2-methylprop-1-enyl)prop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C=C(C)C
InChIInChI=1S/C7H10ClN/c1-4-7(8)9-5-6(2)3/h4-5H,1H2,2-3H3/b9-7-
InChIKeyPHMDKQRBQMUAPY-CLFYSBASSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride

N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride (PubChem CID 144733147) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)prop-2-enimidoyl chloride
PubChem CID144733147
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-(2-methylprop-1-enyl)prop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C=C(C)C
InChIInChI=1S/C7H10ClN/c1-4-7(8)9-5-6(2)3/h4-5H,1H2,2-3H3/b9-7-
InChIKeyPHMDKQRBQMUAPY-CLFYSBASSA-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'}

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Related Compounds

N-(2-methylprop-1-enyl)ethanimidoyl chloride
CID 13836697
N-(2-methylprop-1-enyl)prop-2-en-1-imine
CID 15632335
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
N-[(Z)-prop-1-enyl]ethanimidoyl chloride
CID 117665170
N-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
N-[(Z)-prop-1-enyl]prop-2-enimidoyl chloride
CID 123302695
N-prop-1-enylbut-2-enimidoyl chloride
CID 123346450
2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
CID 123553700
N-prop-1-enylprop-2-enimidoyl chloride
CID 123895156
N-ethylbut-2-enimidoyl chloride
CID 123897509
(Z)-N-ethenyl-2-methylbut-2-enimidoyl chloride
CID 129215809
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride
CID 134227772

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride?
The IUPAC name of N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride (CID 144733147) is N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride.
What is the SMILES notation for N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride?
The canonical SMILES for N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride is C=C/C(Cl)=N/C=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride?
The InChIKey is PHMDKQRBQMUAPY-CLFYSBASSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-7(8)9-5-6(2)3/h4-5H,1H2,2-3H3/b9-7-.
What are the key properties of N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride?
N-(2-methylprop-1-enyl)prop-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 N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride is sourced from PubChem (CID 144733147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).