N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride

C8H12ClN — CID 146701421

IUPACN-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)C(C)C
InChIInChI=1S/C8H12ClN/c1-5-10-8(9)7(4)6(2)3/h5-6H,1,4H2,2-3H3/b10-8-
InChIKeyQVBZTYTVGKMHQW-NTMALXAHSA-N
MW157.64 g/mol
LogP2.98
Rot. Bonds3

About N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride

N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride (PubChem CID 146701421) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride.

Molecular Properties

Compound NameN-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride
PubChem CID146701421
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride
SMILESC=C/N=C(\Cl)C(=C)C(C)C
InChIInChI=1S/C8H12ClN/c1-5-10-8(9)7(4)6(2)3/h5-6H,1,4H2,2-3H3/b10-8-
InChIKeyQVBZTYTVGKMHQW-NTMALXAHSA-N
XLogP2.98
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 ≤ 52.98
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-ethenyl-2-methylprop-2-enimidoyl chloride
CID 122468635
ethane;3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610020
3-methyl-2-methylidene-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 170274527
(2Z)-N-(1-aminoethenyl)-2-(aminomethylidene)-3-methylbutanimidoyl chloride
CID 173483683
ethane;N-ethenyl-2-methylidenebutanimidoyl chloride
CID 178177793
(Z)-N-ethenyl-2-ethylbut-2-enimidoyl chloride
CID 142245103
3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610021
N-ethenyl-2-methylidenebutanimidoyl chloride
CID 178177794

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride?
The IUPAC name of N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride (CID 146701421) is N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride.
What is the SMILES notation for N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride?
The canonical SMILES for N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride is C=C/N=C(\Cl)C(=C)C(C)C.
What is the InChIKey of N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride?
The InChIKey is QVBZTYTVGKMHQW-NTMALXAHSA-N. The full InChI is InChI=1S/C8H12ClN/c1-5-10-8(9)7(4)6(2)3/h5-6H,1,4H2,2-3H3/b10-8-.
What are the key properties of N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride?
N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride has a molecular weight of 157.64 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-methyl-2-methylidenebutanimidoyl chloride is sourced from PubChem (CID 146701421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).