1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine

C9H15ClN2 — CID 145076266

IUPAC1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(C)C(C)=C(Cl)C1C
InChIInChI=1S/C9H15ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6-7,11H,1-4H3/b11-8+
InChIKeyWBEIEIPIFCXQBR-DHZHZOJOSA-N
MW186.69 g/mol
LogP2.59
Rot. Bonds

About 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine

1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine (PubChem CID 145076266) has the molecular formula C9H15ClN2 and a molecular weight of 186.69 g/mol. Its IUPAC name is 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine
PubChem CID145076266
Molecular FormulaC9H15ClN2
Molecular Weight186.69 g/mol
Exact Mass186.09
IUPAC Name1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(C)C(C)=C(Cl)C1C
InChIInChI=1S/C9H15ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6-7,11H,1-4H3/b11-8+
InChIKeyWBEIEIPIFCXQBR-DHZHZOJOSA-N
XLogP2.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.69
LogP ≤ 52.59
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-[(2R)-4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl]ethanimine
CID 145076272
1-(4-chloro-2,3-dimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
CID 145076276

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine?
The IUPAC name of 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine (CID 145076266) is 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine.
What is the SMILES notation for 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine?
The canonical SMILES for 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine is [H]/N=C(\C)N1C(C)C(C)=C(Cl)C1C.
What is the InChIKey of 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine?
The InChIKey is WBEIEIPIFCXQBR-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H15ClN2/c1-5-6(2)12(8(4)11)7(3)9(5)10/h6-7,11H,1-4H3/b11-8+.
What are the key properties of 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine?
1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine has a molecular weight of 186.69 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4,5-trimethyl-2,5-dihydropyrrol-1-yl)ethanimine is sourced from PubChem (CID 145076266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).