1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine

C9H13ClN2 — CID 145076276

IUPAC1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(=C)C(Cl)=C(C)C1C
InChIInChI=1S/C9H13ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6,11H,3H2,1-2,4H3/b11-8+
InChIKeyVANQKPLYRDYRQF-DHZHZOJOSA-N
MW184.67 g/mol
LogP2.71
Rot. Bonds

About 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine

1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine (PubChem CID 145076276) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
PubChem CID145076276
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(=C)C(Cl)=C(C)C1C
InChIInChI=1S/C9H13ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6,11H,3H2,1-2,4H3/b11-8+
InChIKeyVANQKPLYRDYRQF-DHZHZOJOSA-N
XLogP2.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine 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

1-(3-Chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine
CID 145076266
1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine
CID 145076272
1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
CID 145076280

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
The IUPAC name of 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine (CID 145076276) is 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine.
What is the SMILES notation for 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
The canonical SMILES for 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine is [H]/N=C(\C)N1C(=C)C(Cl)=C(C)C1C.
What is the InChIKey of 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
The InChIKey is VANQKPLYRDYRQF-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6,11H,3H2,1-2,4H3/b11-8+.
What are the key properties of 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine has a molecular weight of 184.67 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine is sourced from PubChem (CID 145076276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).