9-isocyanato-2,9-dihydro-1H-fluorene

C14H11NO — CID 163957293

IUPAC9-isocyanato-2,9-dihydro-1H-fluorene
SMILESO=C=NC1C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C14H11NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-3,5-7,14H,4,8H2
InChIKeySEMFCMQWEQPDDX-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.18
Rot. Bonds1

About 9-isocyanato-2,9-dihydro-1H-fluorene

9-isocyanato-2,9-dihydro-1H-fluorene (PubChem CID 163957293) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 9-isocyanato-2,9-dihydro-1H-fluorene.

Molecular Properties

Compound Name9-isocyanato-2,9-dihydro-1H-fluorene
PubChem CID163957293
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name9-isocyanato-2,9-dihydro-1H-fluorene
SMILESO=C=NC1C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C14H11NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-3,5-7,14H,4,8H2
InChIKeySEMFCMQWEQPDDX-UHFFFAOYSA-N
XLogP3.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.18
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'}

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Related Compounds

2,9-dihydro-1H-fluoren-9-amine;methane;propan-2-amine
CID 143038930
2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 143777459
methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 163499760
9-(9H-fluoren-1-yl)-3-(9-phenyl-8,9-dihydro-7H-fluoren-3-yl)-9H-fluorene
CID 165164589
(1R,2R)-2-bromo-1-isocyanato-2,3-dihydro-1H-indene
CID 24767137
2-(2-phenylcyclohexa-1,5-dien-1-yl)benzenethiol
CID 170288323
2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol
CID 175277096
2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde
CID 163825554
8H-cyclohepta[b]naphthalene-5,11-dione
CID 142997660
4,9-dihydro-3H-fluoren-9-ylmethanamine
CID 145081785
4-methylsulfonylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15(20),16-octaene
CID 71100786
9,9-dimethyl-6-[2-(2-methylphenyl)phenyl]-1,2,5,6-tetrahydrofluorene
CID 156826986

Frequently Asked Questions

What is the IUPAC name of 9-isocyanato-2,9-dihydro-1H-fluorene?
The IUPAC name of 9-isocyanato-2,9-dihydro-1H-fluorene (CID 163957293) is 9-isocyanato-2,9-dihydro-1H-fluorene.
What is the SMILES notation for 9-isocyanato-2,9-dihydro-1H-fluorene?
The canonical SMILES for 9-isocyanato-2,9-dihydro-1H-fluorene is O=C=NC1C2=C(C=CCC2)c2ccccc21.
What is the InChIKey of 9-isocyanato-2,9-dihydro-1H-fluorene?
The InChIKey is SEMFCMQWEQPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-9-15-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-3,5-7,14H,4,8H2.
What are the key properties of 9-isocyanato-2,9-dihydro-1H-fluorene?
9-isocyanato-2,9-dihydro-1H-fluorene has a molecular weight of 209.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isocyanato-2,9-dihydro-1H-fluorene is sourced from PubChem (CID 163957293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).