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

C10H16N2 — CID 145076280

IUPAC1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(=C)C(C)=C(C)C1C
InChIInChI=1S/C10H16N2/c1-6-7(2)9(4)12(8(6)3)10(5)11/h9,11H,3H2,1-2,4-5H3/b11-10+
InChIKeyTZHXJIXVCOOQBP-ZHACJKMWSA-N
MW164.25 g/mol
LogP2.54
Rot. Bonds

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

1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine (PubChem CID 145076280) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine.

Molecular Properties

Compound Name1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
PubChem CID145076280
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine
SMILES[H]/N=C(\C)N1C(=C)C(C)=C(C)C1C
InChIInChI=1S/C10H16N2/c1-6-7(2)9(4)12(8(6)3)10(5)11/h9,11H,3H2,1-2,4-5H3/b11-10+
InChIKeyTZHXJIXVCOOQBP-ZHACJKMWSA-N
XLogP2.54
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.54
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-(2,3,4-trimethyl-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

N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
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
5-Ethyl-1-methyl-3-methylidenepyrrol-2-imine
CID 145221788
1-Ethyl-4,6-dimethylpyridin-2-imine
CID 45079075

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
The IUPAC name of 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine (CID 145076280) is 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine.
What is the SMILES notation for 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
The canonical SMILES for 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine is [H]/N=C(\C)N1C(=C)C(C)=C(C)C1C.
What is the InChIKey of 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
The InChIKey is TZHXJIXVCOOQBP-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-7(2)9(4)12(8(6)3)10(5)11/h9,11H,3H2,1-2,4-5H3/b11-10+.
What are the key properties of 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine?
1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine has a molecular weight of 164.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trimethyl-5-methylidene-2H-pyrrol-1-yl)ethanimine is sourced from PubChem (CID 145076280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).