(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride

C5H6ClN3O — CID 166981538

IUPAC(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])C(N)=O
InChIInChI=1S/C5H6ClN3O/c6-4(8)2-1-3(7)5(9)10/h1-2,7-8H,(H2,9,10)/b2-1-,7-3-,8-4-
InChIKeyZSDHRAOELUZKIP-ZYUTYUTBSA-N
MW159.58 g/mol
LogP0.26
Rot. Bonds3

About (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride

(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride (PubChem CID 166981538) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride
PubChem CID166981538
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])C(N)=O
InChIInChI=1S/C5H6ClN3O/c6-4(8)2-1-3(7)5(9)10/h1-2,7-8H,(H2,9,10)/b2-1-,7-3-,8-4-
InChIKeyZSDHRAOELUZKIP-ZYUTYUTBSA-N
XLogP0.26
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-oxopent-2-enimidoyl chloride
CID 123619964
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
(E)-2-aminobut-2-enediimidoyl dichloride
CID 137295960
(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride
CID 155722682
(E)-3,5-dichloro-2,5-diiminopent-3-enoyl chloride
CID 169052382
(E)-3-methyl-4-oxobut-2-enimidoyl chloride
CID 138622786
2-amino-3-iminobutanoyl chloride;hydrochloride
CID 88808185
(Z)-4-amino-6-ethoxy-2-imino-6-oxohex-3-enoic acid
CID 142996179
ethyl (Z)-4-amino-5,5,5-trifluoro-2-iminopent-3-enoate
CID 177007000
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
(Z)-3-(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)prop-2-enimidoyl chloride
CID 89209555

Frequently Asked Questions

What is the IUPAC name of (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride?
The IUPAC name of (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride (CID 166981538) is (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride?
The canonical SMILES for (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(=N\[H])C(N)=O.
What is the InChIKey of (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride?
The InChIKey is ZSDHRAOELUZKIP-ZYUTYUTBSA-N. The full InChI is InChI=1S/C5H6ClN3O/c6-4(8)2-1-3(7)5(9)10/h1-2,7-8H,(H2,9,10)/b2-1-,7-3-,8-4-.
What are the key properties of (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride?
(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride has a molecular weight of 159.58 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride is sourced from PubChem (CID 166981538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).