(Z)-2-methylidenepent-3-enimidoyl chloride

C6H8ClN — CID 122550265

IUPAC(Z)-2-methylidenepent-3-enimidoyl chloride
SMILES[H]/N=C(\Cl)C(=C)/C=C\C
InChIInChI=1S/C6H8ClN/c1-3-4-5(2)6(7)8/h3-4,8H,2H2,1H3/b4-3-,8-6-
InChIKeyWYBKCHANEWMDMY-XYMCEGRYSA-N
MW129.59 g/mol
LogP2.33
Rot. Bonds2

About (Z)-2-methylidenepent-3-enimidoyl chloride

(Z)-2-methylidenepent-3-enimidoyl chloride (PubChem CID 122550265) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is (Z)-2-methylidenepent-3-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-2-methylidenepent-3-enimidoyl chloride
PubChem CID122550265
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name(Z)-2-methylidenepent-3-enimidoyl chloride
SMILES[H]/N=C(\Cl)C(=C)/C=C\C
InChIInChI=1S/C6H8ClN/c1-3-4-5(2)6(7)8/h3-4,8H,2H2,1H3/b4-3-,8-6-
InChIKeyWYBKCHANEWMDMY-XYMCEGRYSA-N
XLogP2.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-chloroprop-2-enimidoyl chloride
CID 138597266
(3Z,6Z)-5,5-dimethyl-3-[(3Z)-penta-1,3-dien-2-yl]octa-3,6-dien-2-imine
CID 166659852
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(4Z,6Z)-4,5-dimethyl-3-methylideneocta-4,6-dien-2-imine
CID 144635572
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
CID 177317779
(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
CID 123995117
3-amino-2-ethenylbut-2-enimidoyl chloride
CID 163959040
5-bromo-4-ethyl-6-methylidenenona-2,4,7-triene
CID 123219391
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
(Z)-but-2-enimidoyl cyanide
CID 123741154
(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
CID 167151920

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylidenepent-3-enimidoyl chloride?
The IUPAC name of (Z)-2-methylidenepent-3-enimidoyl chloride (CID 122550265) is (Z)-2-methylidenepent-3-enimidoyl chloride.
What is the SMILES notation for (Z)-2-methylidenepent-3-enimidoyl chloride?
The canonical SMILES for (Z)-2-methylidenepent-3-enimidoyl chloride is [H]/N=C(\Cl)C(=C)/C=C\C.
What is the InChIKey of (Z)-2-methylidenepent-3-enimidoyl chloride?
The InChIKey is WYBKCHANEWMDMY-XYMCEGRYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-3-4-5(2)6(7)8/h3-4,8H,2H2,1H3/b4-3-,8-6-.
What are the key properties of (Z)-2-methylidenepent-3-enimidoyl chloride?
(Z)-2-methylidenepent-3-enimidoyl chloride has a molecular weight of 129.59 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylidenepent-3-enimidoyl chloride is sourced from PubChem (CID 122550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).