N-methylpent-2-enimidoyl chloride

C6H10ClN — CID 123588934

IUPACN-methylpent-2-enimidoyl chloride
SMILESCCC=C/C(Cl)=N/C
InChIInChI=1S/C6H10ClN/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4?,8-6-
InChIKeyLSYLZSINCLBWBP-GFPPLSNOSA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds2

About N-methylpent-2-enimidoyl chloride

N-methylpent-2-enimidoyl chloride (PubChem CID 123588934) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is N-methylpent-2-enimidoyl chloride.

Molecular Properties

Compound NameN-methylpent-2-enimidoyl chloride
PubChem CID123588934
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC NameN-methylpent-2-enimidoyl chloride
SMILESCCC=C/C(Cl)=N/C
InChIInChI=1S/C6H10ClN/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4?,8-6-
InChIKeyLSYLZSINCLBWBP-GFPPLSNOSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
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

(Z)-N-methylpent-2-enimidoyl fluoride
CID 139381399
N-methylpent-3-en-2-imine
CID 15325554
6-Chloro-2,3-dihydropyridine
CID 57230767
(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
(E)-N-butan-2-ylpent-2-enimidoyl chloride
CID 88602492
(Z)-N-methylhex-3-en-2-imine
CID 88993764
(E)-2-chloro-N-methylpent-2-en-1-imine
CID 89029025
(3S)-6-chloro-3-methyl-2,3-dihydropyridine
CID 89245175
N,5-dimethylhexa-2,5-dienimidoyl chloride
CID 90760612

Frequently Asked Questions

What is the IUPAC name of N-methylpent-2-enimidoyl chloride?
The IUPAC name of N-methylpent-2-enimidoyl chloride (CID 123588934) is N-methylpent-2-enimidoyl chloride.
What is the SMILES notation for N-methylpent-2-enimidoyl chloride?
The canonical SMILES for N-methylpent-2-enimidoyl chloride is CCC=C/C(Cl)=N/C.
What is the InChIKey of N-methylpent-2-enimidoyl chloride?
The InChIKey is LSYLZSINCLBWBP-GFPPLSNOSA-N. The full InChI is InChI=1S/C6H10ClN/c1-3-4-5-6(7)8-2/h4-5H,3H2,1-2H3/b5-4?,8-6-.
What are the key properties of N-methylpent-2-enimidoyl chloride?
N-methylpent-2-enimidoyl chloride has a molecular weight of 131.61 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpent-2-enimidoyl chloride is sourced from PubChem (CID 123588934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).