(5Z)-5-ethylidene-1,2,2-trimethylpyrrole

C9H15N — CID 135038931

IUPAC(5Z)-5-ethylidene-1,2,2-trimethylpyrrole
SMILESC/C=C1/C=CC(C)(C)N1C
InChIInChI=1S/C9H15N/c1-5-8-6-7-9(2,3)10(8)4/h5-7H,1-4H3/b8-5-
InChIKeyRQYSTKZBNCQDIR-YVMONPNESA-N
MW137.23 g/mol
LogP2.17
Rot. Bonds

About (5Z)-5-ethylidene-1,2,2-trimethylpyrrole

(5Z)-5-ethylidene-1,2,2-trimethylpyrrole (PubChem CID 135038931) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (5Z)-5-ethylidene-1,2,2-trimethylpyrrole.

Molecular Properties

Compound Name(5Z)-5-ethylidene-1,2,2-trimethylpyrrole
PubChem CID135038931
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(5Z)-5-ethylidene-1,2,2-trimethylpyrrole
SMILESC/C=C1/C=CC(C)(C)N1C
InChIInChI=1S/C9H15N/c1-5-8-6-7-9(2,3)10(8)4/h5-7H,1-4H3/b8-5-
InChIKeyRQYSTKZBNCQDIR-YVMONPNESA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5Z)-5-ethylidene-1,2,2-trimethylpyrrole 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 (5Z)-5-ethylidene-1,2,2-trimethylpyrrole?
The IUPAC name of (5Z)-5-ethylidene-1,2,2-trimethylpyrrole (CID 135038931) is (5Z)-5-ethylidene-1,2,2-trimethylpyrrole.
What is the SMILES notation for (5Z)-5-ethylidene-1,2,2-trimethylpyrrole?
The canonical SMILES for (5Z)-5-ethylidene-1,2,2-trimethylpyrrole is C/C=C1/C=CC(C)(C)N1C.
What is the InChIKey of (5Z)-5-ethylidene-1,2,2-trimethylpyrrole?
The InChIKey is RQYSTKZBNCQDIR-YVMONPNESA-N. The full InChI is InChI=1S/C9H15N/c1-5-8-6-7-9(2,3)10(8)4/h5-7H,1-4H3/b8-5-.
What are the key properties of (5Z)-5-ethylidene-1,2,2-trimethylpyrrole?
(5Z)-5-ethylidene-1,2,2-trimethylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-1,2,2-trimethylpyrrole is sourced from PubChem (CID 135038931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).