2-prop-2-enylpyrene

C19H14 — CID 173060600

IUPAC2-prop-2-enylpyrene
SMILESC=CCc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C19H14/c1-2-4-13-11-16-9-7-14-5-3-6-15-8-10-17(12-13)19(16)18(14)15/h2-3,5-12H,1,4H2
InChIKeyCITATAJSAWNYGC-UHFFFAOYSA-N
MW242.32 g/mol
LogP5.31
Rot. Bonds2

About 2-prop-2-enylpyrene

2-prop-2-enylpyrene (PubChem CID 173060600) has the molecular formula C19H14 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-prop-2-enylpyrene.

Molecular Properties

Compound Name2-prop-2-enylpyrene
PubChem CID173060600
Molecular FormulaC19H14
Molecular Weight242.32 g/mol
Exact Mass242.11
IUPAC Name2-prop-2-enylpyrene
SMILESC=CCc1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C19H14/c1-2-4-13-11-16-9-7-14-5-3-6-15-8-10-17(12-13)19(16)18(14)15/h2-3,5-12H,1,4H2
InChIKeyCITATAJSAWNYGC-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]acenaphthylene-1,2-diimine
CID 21083110
3-prop-2-enylphenanthrene
CID 141440932
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene
CID 172997689
2-(4-pyren-2-ylphenyl)pyrene
CID 140856020
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743
prop-2-enylbenzene
CID 159998516
2-chloro-7-prop-2-enylnaphthalene
CID 58656022
7-prop-2-enylnaphthalen-2-amine
CID 144549063
1-prop-2-enylfluoranthene
CID 173108316
8-prop-2-enylnaphthalene-1,6-dicarboxylic acid
CID 139984792
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpyrene?
The IUPAC name of 2-prop-2-enylpyrene (CID 173060600) is 2-prop-2-enylpyrene.
What is the SMILES notation for 2-prop-2-enylpyrene?
The canonical SMILES for 2-prop-2-enylpyrene is C=CCc1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of 2-prop-2-enylpyrene?
The InChIKey is CITATAJSAWNYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14/c1-2-4-13-11-16-9-7-14-5-3-6-15-8-10-17(12-13)19(16)18(14)15/h2-3,5-12H,1,4H2.
What are the key properties of 2-prop-2-enylpyrene?
2-prop-2-enylpyrene has a molecular weight of 242.32 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpyrene is sourced from PubChem (CID 173060600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).