(Z)-4-imino-3-methylpent-2-enimidoyl chloride

C6H9ClN2 — CID 145498461

IUPAC(Z)-4-imino-3-methylpent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(C)\C(C)=N\[H]
InChIInChI=1S/C6H9ClN2/c1-4(5(2)8)3-6(7)9/h3,8-9H,1-2H3/b4-3-,8-5+,9-6-
InChIKeyVZTAIDSVNOFEKD-QEBXBUSGSA-N
MW144.60 g/mol
LogP2.19
Rot. Bonds2

About (Z)-4-imino-3-methylpent-2-enimidoyl chloride

(Z)-4-imino-3-methylpent-2-enimidoyl chloride (PubChem CID 145498461) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (Z)-4-imino-3-methylpent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-imino-3-methylpent-2-enimidoyl chloride
PubChem CID145498461
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(Z)-4-imino-3-methylpent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C(C)\C(C)=N\[H]
InChIInChI=1S/C6H9ClN2/c1-4(5(2)8)3-6(7)9/h3,8-9H,1-2H3/b4-3-,8-5+,9-6-
InChIKeyVZTAIDSVNOFEKD-QEBXBUSGSA-N
XLogP2.19
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-imino-3-methylpent-2-enimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928
Imino-6-chloro-2-methyl-2,5-cyclohexadiene
CID 129743469
3-Methylpent-3-en-2-imine
CID 15835473
2-Methylcyclohexa-2,5-diene-1,4-diimine
CID 21499767
(E)-3-methylpent-3-en-2-imine
CID 22944994
4-Methylpent-3-en-2-imine
CID 23064943
6-Chloro-4-methylhept-4-ene-2,3-diimine
CID 90887194
(E)-4-chloropent-3-en-2-imine
CID 91151084
(3E)-3,6-dimethylhepta-3,6-diene-2,5-diimine
CID 91336852
5-Methylhex-4-en-3-imine
CID 91473946
(E)-4-imino-3-methylpent-2-enenitrile
CID 118054344
(4E)-5-chloro-3-methylidenehepta-4,6-dien-2-imine
CID 123209929

Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3-methylpent-2-enimidoyl chloride?
The IUPAC name of (Z)-4-imino-3-methylpent-2-enimidoyl chloride (CID 145498461) is (Z)-4-imino-3-methylpent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-imino-3-methylpent-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-imino-3-methylpent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C(C)\C(C)=N\[H].
What is the InChIKey of (Z)-4-imino-3-methylpent-2-enimidoyl chloride?
The InChIKey is VZTAIDSVNOFEKD-QEBXBUSGSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-4(5(2)8)3-6(7)9/h3,8-9H,1-2H3/b4-3-,8-5+,9-6-.
What are the key properties of (Z)-4-imino-3-methylpent-2-enimidoyl chloride?
(Z)-4-imino-3-methylpent-2-enimidoyl chloride has a molecular weight of 144.60 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3-methylpent-2-enimidoyl chloride is sourced from PubChem (CID 145498461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).