N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride

C8H12ClN — CID 143209454

IUPACN-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C=C(\C)CC
InChIInChI=1S/C8H12ClN/c1-4-7(3)6-10-8(9)5-2/h5-6H,2,4H2,1,3H3/b7-6+,10-8-
InChIKeyHRDWRUKSONXOLI-QDJLDCPTSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds3

About N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride

N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride (PubChem CID 143209454) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride.

Molecular Properties

Compound NameN-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride
PubChem CID143209454
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride
SMILESC=C/C(Cl)=N/C=C(\C)CC
InChIInChI=1S/C8H12ClN/c1-4-7(3)6-10-8(9)5-2/h5-6H,2,4H2,1,3H3/b7-6+,10-8-
InChIKeyHRDWRUKSONXOLI-QDJLDCPTSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.12
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-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900845
N-[(1Z)-2-ethylbuta-1,3-dienyl]ethanimidoyl chloride
CID 89250882
N-(2-methylprop-1-enyl)but-3-en-2-imine
CID 90260501
N-(2-methylbut-1-enyl)prop-2-en-1-imine
CID 91078779
N-[(Z)-2-methylbut-1-enyl]prop-2-en-1-imine
CID 123983845
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimidoyl chloride
CID 134227772
N-[(E)-2-methylbut-1-enyl]prop-2-en-1-imine
CID 141947768
(2Z)-N-ethyl-3-methylpenta-2,4-dienimidoyl chloride
CID 142254741
7-chloro-3-methyl-4H-azepine
CID 143028513
ethane;3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610020
N-(2-methylprop-1-enyl)prop-2-enimidoyl chloride
CID 144733147
N-[(E)-2-chloroprop-1-enyl]-2-methylpenta-1,4-dien-3-imine
CID 155274371

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride?
The IUPAC name of N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride (CID 143209454) is N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride.
What is the SMILES notation for N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride?
The canonical SMILES for N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride is C=C/C(Cl)=N/C=C(\C)CC.
What is the InChIKey of N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride?
The InChIKey is HRDWRUKSONXOLI-QDJLDCPTSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-7(3)6-10-8(9)5-2/h5-6H,2,4H2,1,3H3/b7-6+,10-8-.
What are the key properties of N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride?
N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride has a molecular weight of 157.64 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylbut-1-enyl]prop-2-enimidoyl chloride is sourced from PubChem (CID 143209454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).