N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine

C7H10ClN — CID 123623345

IUPACN-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)C=NC(Cl)=CC
InChIInChI=1S/C7H10ClN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3
InChIKeyRZDLSVOHBYLBSA-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.73
Rot. Bonds2

About N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine

N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine (PubChem CID 123623345) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
PubChem CID123623345
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC NameN-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
SMILESC=C(C)C=NC(Cl)=CC
InChIInChI=1S/C7H10ClN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3
InChIKeyRZDLSVOHBYLBSA-UHFFFAOYSA-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 137446288
N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 173786787
2-methyl-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 88885972
(Z)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 89035223
2-chloro-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 89595732
N-(1-chloroethenyl)-2-methylprop-2-en-1-imine
CID 90688003
2-methyl-N-prop-1-enylprop-2-en-1-imine
CID 90881872
N-(1-chloroprop-1-enyl)prop-2-en-1-imine
CID 123266589
N-(2-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123516827
2-methyl-N-prop-1-enylprop-2-enimidoyl chloride
CID 123553700
N-(1-chloroethenyl)-2,3-dimethylbut-2-en-1-imine
CID 123612629
N-(1-chloroethenyl)-2-methylidenebutan-1-imine
CID 123676217

Frequently Asked Questions

What is the IUPAC name of N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine?
The IUPAC name of N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine (CID 123623345) is N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine.
What is the SMILES notation for N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine?
The canonical SMILES for N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine is C=C(C)C=NC(Cl)=CC.
What is the InChIKey of N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine?
The InChIKey is RZDLSVOHBYLBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3.
What are the key properties of N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine?
N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine 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-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine is sourced from PubChem (CID 123623345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).