1,4-dimethyl-3H-pyrrol-2-imine

C6H10N2 — CID 91343233

IUPAC1,4-dimethyl-3H-pyrrol-2-imine
SMILES[H]/N=C1\CC(C)=CN1C
InChIInChI=1S/C6H10N2/c1-5-3-6(7)8(2)4-5/h4,7H,3H2,1-2H3/b7-6+
InChIKeyBDCYTJQZALMATO-VOTSOKGWSA-N
MW110.16 g/mol
LogP1.20
Rot. Bonds

About 1,4-dimethyl-3H-pyrrol-2-imine

1,4-dimethyl-3H-pyrrol-2-imine (PubChem CID 91343233) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1,4-dimethyl-3H-pyrrol-2-imine.

Molecular Properties

Compound Name1,4-dimethyl-3H-pyrrol-2-imine
PubChem CID91343233
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1,4-dimethyl-3H-pyrrol-2-imine
SMILES[H]/N=C1\CC(C)=CN1C
InChIInChI=1S/C6H10N2/c1-5-3-6(7)8(2)4-5/h4,7H,3H2,1-2H3/b7-6+
InChIKeyBDCYTJQZALMATO-VOTSOKGWSA-N
XLogP1.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-3H-pyrrol-2-imine 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-methyl-3H-pyrrol-2-imine
CID 100937012
N,4-dimethyl-1,3-dihydropyrrol-2-imine
CID 136121150
N-methyl-N-(2-methylprop-1-enyl)ethanimidamide
CID 143040234
4-methyl-1-propan-2-yl-3H-pyrrol-2-imine
CID 166684569
1-Methyl-4-methylidenepyrrolidin-2-imine
CID 161250406

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3H-pyrrol-2-imine?
The IUPAC name of 1,4-dimethyl-3H-pyrrol-2-imine (CID 91343233) is 1,4-dimethyl-3H-pyrrol-2-imine.
What is the SMILES notation for 1,4-dimethyl-3H-pyrrol-2-imine?
The canonical SMILES for 1,4-dimethyl-3H-pyrrol-2-imine is [H]/N=C1\CC(C)=CN1C.
What is the InChIKey of 1,4-dimethyl-3H-pyrrol-2-imine?
The InChIKey is BDCYTJQZALMATO-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-3-6(7)8(2)4-5/h4,7H,3H2,1-2H3/b7-6+.
What are the key properties of 1,4-dimethyl-3H-pyrrol-2-imine?
1,4-dimethyl-3H-pyrrol-2-imine has a molecular weight of 110.16 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3H-pyrrol-2-imine is sourced from PubChem (CID 91343233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).