9-but-2-en-2-yl-9H-fluorene

C17H16 — CID 58635963

IUPAC9-but-2-en-2-yl-9H-fluorene
SMILESCC=C(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16/c1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11,17H,1-2H3
InChIKeyJHMVGWCWKUPHIB-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.77
Rot. Bonds1

About 9-but-2-en-2-yl-9H-fluorene

9-but-2-en-2-yl-9H-fluorene (PubChem CID 58635963) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 9-but-2-en-2-yl-9H-fluorene.

Molecular Properties

Compound Name9-but-2-en-2-yl-9H-fluorene
PubChem CID58635963
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name9-but-2-en-2-yl-9H-fluorene
SMILESCC=C(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16/c1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11,17H,1-2H3
InChIKeyJHMVGWCWKUPHIB-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(9S)-2-bromo-9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-9H-fluorene
CID 170053448
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
N,N-bis(9H-fluorene-9-carbonyl)-9H-fluorene-9-carboxamide
CID 70378665
1-(9H-fluoren-9-yl)butan-1-one
CID 83046964
ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
methyl (Z)-3-chloro-2-(9H-fluoren-9-yl)prop-2-enoate
CID 23629522
N-ethyl-9H-fluorene-9-carboxamide
CID 22891606
bis(9H-fluoren-9-yl)methanone;perylene;propan-2-one
CID 174856609
9-deuterio-9-methylfluorene
CID 169301704
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
2-(2-methylphenyl)-9-prop-1-en-2-yl-9H-fluorene
CID 163547179

Frequently Asked Questions

What is the IUPAC name of 9-but-2-en-2-yl-9H-fluorene?
The IUPAC name of 9-but-2-en-2-yl-9H-fluorene (CID 58635963) is 9-but-2-en-2-yl-9H-fluorene.
What is the SMILES notation for 9-but-2-en-2-yl-9H-fluorene?
The canonical SMILES for 9-but-2-en-2-yl-9H-fluorene is CC=C(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-but-2-en-2-yl-9H-fluorene?
The InChIKey is JHMVGWCWKUPHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-11,17H,1-2H3.
What are the key properties of 9-but-2-en-2-yl-9H-fluorene?
9-but-2-en-2-yl-9H-fluorene has a molecular weight of 220.31 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-but-2-en-2-yl-9H-fluorene is sourced from PubChem (CID 58635963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).