9H-fluoren-1-ylmethyl nitrate

C14H11NO3 — CID 174713486

IUPAC9H-fluoren-1-ylmethyl nitrate
SMILESO=[N+]([O-])OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H11NO3/c16-15(17)18-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8-9H2
InChIKeyJGCKEHZMBPFPHU-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.97
Rot. Bonds3

About 9H-fluoren-1-ylmethyl nitrate

9H-fluoren-1-ylmethyl nitrate (PubChem CID 174713486) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl nitrate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl nitrate
PubChem CID174713486
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name9H-fluoren-1-ylmethyl nitrate
SMILESO=[N+]([O-])OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H11NO3/c16-15(17)18-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8-9H2
InChIKeyJGCKEHZMBPFPHU-UHFFFAOYSA-N
XLogP2.97
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9H-fluoren-1-ylmethyl nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(propan-2-yloxymethyl)-9H-fluorene
CID 58283334
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
2-(9H-fluoren-1-yl)acetamide
CID 22939017
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
1-(9H-fluoren-1-ylmethoxy)-1,2,2-trimethylhydrazine
CID 163981163
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
CID 70186299
9H-fluoren-1-ylmethyl 3-phenylprop-2-enoate
CID 152662857
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9H-fluoren-1-ylmethyl 2-chlorohexanoate
CID 175075714
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl nitrate?
The IUPAC name of 9H-fluoren-1-ylmethyl nitrate (CID 174713486) is 9H-fluoren-1-ylmethyl nitrate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl nitrate?
The canonical SMILES for 9H-fluoren-1-ylmethyl nitrate is O=[N+]([O-])OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-ylmethyl nitrate?
The InChIKey is JGCKEHZMBPFPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-15(17)18-9-11-5-3-7-13-12-6-2-1-4-10(12)8-14(11)13/h1-7H,8-9H2.
What are the key properties of 9H-fluoren-1-ylmethyl nitrate?
9H-fluoren-1-ylmethyl nitrate has a molecular weight of 241.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl nitrate is sourced from PubChem (CID 174713486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).