1-isocyanato-9H-fluorene;prop-1-ene

C17H15NO — CID 159295729

IUPAC1-isocyanato-9H-fluorene;prop-1-ene
SMILESC=CC.O=C=Nc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H9NO.C3H6/c16-9-15-14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14;1-3-2/h1-7H,8H2;3H,1H2,2H3
InChIKeyLARRNTPJFDOJRD-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.42
Rot. Bonds1

About 1-isocyanato-9H-fluorene;prop-1-ene

1-isocyanato-9H-fluorene;prop-1-ene (PubChem CID 159295729) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-isocyanato-9H-fluorene;prop-1-ene.

Molecular Properties

Compound Name1-isocyanato-9H-fluorene;prop-1-ene
PubChem CID159295729
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-isocyanato-9H-fluorene;prop-1-ene
SMILESC=CC.O=C=Nc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H9NO.C3H6/c16-9-15-14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14;1-3-2/h1-7H,8H2;3H,1H2,2H3
InChIKeyLARRNTPJFDOJRD-UHFFFAOYSA-N
XLogP4.42
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-1-ol;prop-1-ene
CID 159607408
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)-1-isocyanatobut-3-en-2-one
CID 151590298
1-isocyanato-2-(2-isocyanatophenyl)benzene
CID 15935085
N-(9H-fluoren-1-yl)-1-phenylethanimine
CID 143688268
2-isocyanato-9H-fluorene
CID 4118622
1,2-diisocyanatobenzene;ethene
CID 159765986
1-isocyanato-2,3-diphenylbenzene
CID 154092434
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
ethenyl(9H-fluoren-1-yl)silane
CID 150289254
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542

Frequently Asked Questions

What is the IUPAC name of 1-isocyanato-9H-fluorene;prop-1-ene?
The IUPAC name of 1-isocyanato-9H-fluorene;prop-1-ene (CID 159295729) is 1-isocyanato-9H-fluorene;prop-1-ene.
What is the SMILES notation for 1-isocyanato-9H-fluorene;prop-1-ene?
The canonical SMILES for 1-isocyanato-9H-fluorene;prop-1-ene is C=CC.O=C=Nc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-isocyanato-9H-fluorene;prop-1-ene?
The InChIKey is LARRNTPJFDOJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO.C3H6/c16-9-15-14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14;1-3-2/h1-7H,8H2;3H,1H2,2H3.
What are the key properties of 1-isocyanato-9H-fluorene;prop-1-ene?
1-isocyanato-9H-fluorene;prop-1-ene has a molecular weight of 249.31 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyanato-9H-fluorene;prop-1-ene is sourced from PubChem (CID 159295729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).