1,4,5-trimethyl-2,3-dihydropyrrole

C7H13N — CID 18737135

IUPAC1,4,5-trimethyl-2,3-dihydropyrrole
SMILESCC1=C(C)N(C)CC1
InChIInChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-5H2,1-3H3
InChIKeyMMYDWGXXYJMKCM-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.62
Rot. Bonds

About 1,4,5-trimethyl-2,3-dihydropyrrole

1,4,5-trimethyl-2,3-dihydropyrrole (PubChem CID 18737135) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,4,5-trimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,4,5-trimethyl-2,3-dihydropyrrole
PubChem CID18737135
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,4,5-trimethyl-2,3-dihydropyrrole
SMILESCC1=C(C)N(C)CC1
InChIInChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-5H2,1-3H3
InChIKeyMMYDWGXXYJMKCM-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,4,5-trimethyl-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-2,3-dihydropyrrole?
The IUPAC name of 1,4,5-trimethyl-2,3-dihydropyrrole (CID 18737135) is 1,4,5-trimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 1,4,5-trimethyl-2,3-dihydropyrrole?
The canonical SMILES for 1,4,5-trimethyl-2,3-dihydropyrrole is CC1=C(C)N(C)CC1.
What is the InChIKey of 1,4,5-trimethyl-2,3-dihydropyrrole?
The InChIKey is MMYDWGXXYJMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-4-5-8(3)7(6)2/h4-5H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-2,3-dihydropyrrole?
1,4,5-trimethyl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 18737135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).