(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride

C4H7Cl2N3O — CID 137287186

IUPAC(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(OC)=C(/Cl)NN
InChIInChI=1S/C4H7Cl2N3O/c1-10-2(3(5)7)4(6)9-8/h7,9H,8H2,1H3/b4-2+,7-3-
InChIKeyKHZJHAALDXLIQV-SPVRFKSVSA-N
MW184.03 g/mol
LogP0.72
Rot. Bonds3

About (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride

(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride (PubChem CID 137287186) has the molecular formula C4H7Cl2N3O and a molecular weight of 184.03 g/mol. Its IUPAC name is (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride
PubChem CID137287186
Molecular FormulaC4H7Cl2N3O
Molecular Weight184.03 g/mol
Exact Mass183.00
IUPAC Name(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(OC)=C(/Cl)NN
InChIInChI=1S/C4H7Cl2N3O/c1-10-2(3(5)7)4(6)9-8/h7,9H,8H2,1H3/b4-2+,7-3-
InChIKeyKHZJHAALDXLIQV-SPVRFKSVSA-N
XLogP0.72
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.03
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-3-methoxy-2-nitroprop-2-enimidoyl chloride
CID 136611783
methyl 2-chloro-2-oxoethanimidate
CID 88665877
(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
CID 167151920
2-chloroprop-2-enimidoyl chloride
CID 138597266
4-chloro-4-imino-2-methoxy-3-oxobutanoic acid
CID 88644004
cobalt;ethanimidamide
CID 162055614
(2R)-2-methoxypropanimidamide
CID 11768515
3-amino-2-ethenylbut-2-enimidoyl chloride
CID 163959040
methyl (C-methoxycarbonimidoyl)sulfanylmethanimidate
CID 86182847
(E)-2-aminobut-2-enediimidoyl dichloride
CID 137295960
methyl (2S)-2-amino-3-methylbutanimidate
CID 134918429
3-chloro-2-cyano-3-(1-methylsulfanylethenylamino)prop-2-enimidoyl chloride
CID 173494575

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride?
The IUPAC name of (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride (CID 137287186) is (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride.
What is the SMILES notation for (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride?
The canonical SMILES for (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride is [H]/N=C(Cl)/C(OC)=C(/Cl)NN.
What is the InChIKey of (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride?
The InChIKey is KHZJHAALDXLIQV-SPVRFKSVSA-N. The full InChI is InChI=1S/C4H7Cl2N3O/c1-10-2(3(5)7)4(6)9-8/h7,9H,8H2,1H3/b4-2+,7-3-.
What are the key properties of (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride?
(Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride has a molecular weight of 184.03 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-hydrazinyl-2-methoxyprop-2-enimidoyl chloride is sourced from PubChem (CID 137287186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).