1,3-dimethyl-2-methylidene-3H-pyrrole

C7H11N — CID 59591210

IUPAC1,3-dimethyl-2-methylidene-3H-pyrrole
SMILESC=C1C(C)C=CN1C
InChIInChI=1S/C7H11N/c1-6-4-5-8(3)7(6)2/h4-6H,2H2,1,3H3
InChIKeyDFYJBTNIIIQHLS-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.60
Rot. Bonds

About 1,3-dimethyl-2-methylidene-3H-pyrrole

1,3-dimethyl-2-methylidene-3H-pyrrole (PubChem CID 59591210) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1,3-dimethyl-2-methylidene-3H-pyrrole.

Molecular Properties

Compound Name1,3-dimethyl-2-methylidene-3H-pyrrole
PubChem CID59591210
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1,3-dimethyl-2-methylidene-3H-pyrrole
SMILESC=C1C(C)C=CN1C
InChIInChI=1S/C7H11N/c1-6-4-5-8(3)7(6)2/h4-6H,2H2,1,3H3
InChIKeyDFYJBTNIIIQHLS-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3-dimethyl-2-methylidene-3H-pyrrole 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 1,3-dimethyl-2-methylidene-3H-pyrrole?
The IUPAC name of 1,3-dimethyl-2-methylidene-3H-pyrrole (CID 59591210) is 1,3-dimethyl-2-methylidene-3H-pyrrole.
What is the SMILES notation for 1,3-dimethyl-2-methylidene-3H-pyrrole?
The canonical SMILES for 1,3-dimethyl-2-methylidene-3H-pyrrole is C=C1C(C)C=CN1C.
What is the InChIKey of 1,3-dimethyl-2-methylidene-3H-pyrrole?
The InChIKey is DFYJBTNIIIQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6-4-5-8(3)7(6)2/h4-6H,2H2,1,3H3.
What are the key properties of 1,3-dimethyl-2-methylidene-3H-pyrrole?
1,3-dimethyl-2-methylidene-3H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-methylidene-3H-pyrrole is sourced from PubChem (CID 59591210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).