2-chloroprop-2-enimidoyl chloride

C3H3Cl2N — CID 138597266

IUPAC2-chloroprop-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C(=C)Cl
InChIInChI=1S/C3H3Cl2N/c1-2(4)3(5)6/h6H,1H2/b6-3-
InChIKeyTXFVGYNFVRYIHE-UTCJRWHESA-N
MW123.97 g/mol
LogP1.95
Rot. Bonds1

About 2-chloroprop-2-enimidoyl chloride

2-chloroprop-2-enimidoyl chloride (PubChem CID 138597266) has the molecular formula C3H3Cl2N and a molecular weight of 123.97 g/mol. Its IUPAC name is 2-chloroprop-2-enimidoyl chloride.

Molecular Properties

Compound Name2-chloroprop-2-enimidoyl chloride
PubChem CID138597266
Molecular FormulaC3H3Cl2N
Molecular Weight123.97 g/mol
Exact Mass122.96
IUPAC Name2-chloroprop-2-enimidoyl chloride
SMILES[H]/N=C(\Cl)C(=C)Cl
InChIInChI=1S/C3H3Cl2N/c1-2(4)3(5)6/h6H,1H2/b6-3-
InChIKeyTXFVGYNFVRYIHE-UTCJRWHESA-N
XLogP1.95
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.97
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265
3-amino-2-ethenylbut-2-enimidoyl chloride
CID 163959040
3-chloro-2-cyano-3-(1-methylsulfanylethenylamino)prop-2-enimidoyl chloride
CID 173494575
(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
CID 167151920
(E)-2-aminobut-2-enediimidoyl dichloride
CID 137295960
(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
CID 123995117
2-chloro-3-(1-cyclopropylethenylamino)-4-oxobut-2-enimidoyl chloride
CID 173479703
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
CID 138494935
2-bromo-3-chlorobuta-1,3-diene
CID 12636267
1,1-dichloroethene;ethene
CID 23453294
(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride
CID 170214305
(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride
CID 137287186

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enimidoyl chloride?
The IUPAC name of 2-chloroprop-2-enimidoyl chloride (CID 138597266) is 2-chloroprop-2-enimidoyl chloride.
What is the SMILES notation for 2-chloroprop-2-enimidoyl chloride?
The canonical SMILES for 2-chloroprop-2-enimidoyl chloride is [H]/N=C(\Cl)C(=C)Cl.
What is the InChIKey of 2-chloroprop-2-enimidoyl chloride?
The InChIKey is TXFVGYNFVRYIHE-UTCJRWHESA-N. The full InChI is InChI=1S/C3H3Cl2N/c1-2(4)3(5)6/h6H,1H2/b6-3-.
What are the key properties of 2-chloroprop-2-enimidoyl chloride?
2-chloroprop-2-enimidoyl chloride has a molecular weight of 123.97 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enimidoyl chloride is sourced from PubChem (CID 138597266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).