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

C9H13ClN2 — CID 145076272

IUPAC1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine
SMILES[H]/N=C(\C)N1C(=C)C(Cl)=C(C)[C@H]1C
InChIInChI=1S/C9H13ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6,11H,3H2,1-2,4H3/b11-8+/t6-/m1/s1
InChIKeyVANQKPLYRDYRQF-GKORGUPXSA-N
MW184.67 g/mol
LogP2.71
Rot. Bonds

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

1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine (PubChem CID 145076272) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine.

Molecular Properties

Compound Name1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine
PubChem CID145076272
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine
SMILES[H]/N=C(\C)N1C(=C)C(Cl)=C(C)[C@H]1C
InChIInChI=1S/C9H13ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6,11H,3H2,1-2,4H3/b11-8+/t6-/m1/s1
InChIKeyVANQKPLYRDYRQF-GKORGUPXSA-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'}

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Related Compounds

1-(3-Chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine
CID 145076266
1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
CID 145076276
1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
CID 145076280

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine?
The IUPAC name of 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine (CID 145076272) is 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine.
What is the SMILES notation for 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine?
The canonical SMILES for 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine is [H]/N=C(\C)N1C(=C)C(Cl)=C(C)[C@H]1C.
What is the InChIKey of 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine?
The InChIKey is VANQKPLYRDYRQF-GKORGUPXSA-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+/t6-/m1/s1.
What are the key properties of 1-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine?
1-[(2R)-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-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine is sourced from PubChem (CID 145076272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).