4-cyclopropylpyrene

C19H14 — CID 151298183

IUPAC4-cyclopropylpyrene
SMILESc1cc2ccc3cccc4c(C5CC5)cc(c1)c2c34
InChIInChI=1S/C19H14/c1-3-13-9-10-14-4-2-6-16-17(12-7-8-12)11-15(5-1)18(13)19(14)16/h1-6,9-12H,7-8H2
InChIKeyOBVVLPDTKALDBD-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.46
Rot. Bonds1

About 4-cyclopropylpyrene

4-cyclopropylpyrene (PubChem CID 151298183) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-cyclopropylpyrene.

Molecular Properties

Compound Name4-cyclopropylpyrene
PubChem CID151298183
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name4-cyclopropylpyrene
SMILESc1cc2ccc3cccc4c(C5CC5)cc(c1)c2c34
InChIInChI=1S/C19H14/c1-3-13-9-10-14-4-2-6-16-17(12-7-8-12)11-15(5-1)18(13)19(14)16/h1-6,9-12H,7-8H2
InChIKeyOBVVLPDTKALDBD-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-cyclopropylpyrene 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 4-cyclopropylpyrene?
The IUPAC name of 4-cyclopropylpyrene (CID 151298183) is 4-cyclopropylpyrene.
What is the SMILES notation for 4-cyclopropylpyrene?
The canonical SMILES for 4-cyclopropylpyrene is c1cc2ccc3cccc4c(C5CC5)cc(c1)c2c34.
What is the InChIKey of 4-cyclopropylpyrene?
The InChIKey is OBVVLPDTKALDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-3-13-9-10-14-4-2-6-16-17(12-7-8-12)11-15(5-1)18(13)19(14)16/h1-6,9-12H,7-8H2.
What are the key properties of 4-cyclopropylpyrene?
4-cyclopropylpyrene has a molecular weight of 242.32 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylpyrene is sourced from PubChem (CID 151298183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).