2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole

C15H19N — CID 174632748

IUPAC2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole
SMILESC=CCn1c(C)c(C)c(C)c1C1=CC=CC1
InChIInChI=1S/C15H19N/c1-5-10-16-13(4)11(2)12(3)15(16)14-8-6-7-9-14/h5-8H,1,9-10H2,2-4H3
InChIKeyUSXBXFKEXLNYMM-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.94
Rot. Bonds3

About 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole

2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole (PubChem CID 174632748) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole
PubChem CID174632748
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole
SMILESC=CCn1c(C)c(C)c(C)c1C1=CC=CC1
InChIInChI=1S/C15H19N/c1-5-10-16-13(4)11(2)12(3)15(16)14-8-6-7-9-14/h5-8H,1,9-10H2,2-4H3
InChIKeyUSXBXFKEXLNYMM-UHFFFAOYSA-N
XLogP3.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole 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 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole (CID 174632748) is 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole is C=CCn1c(C)c(C)c(C)c1C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole?
The InChIKey is USXBXFKEXLNYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-5-10-16-13(4)11(2)12(3)15(16)14-8-6-7-9-14/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole?
2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole has a molecular weight of 213.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-3,4,5-trimethyl-1-prop-2-enylpyrrole is sourced from PubChem (CID 174632748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).