1,2,3,4,4a,9a-hexahydrofluoren-9-one

C13H14O — CID 604181

IUPAC1,2,3,4,4a,9a-hexahydrofluoren-9-one
SMILESO=C1c2ccccc2C2CCCCC12
InChIInChI=1S/C13H14O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,5,7,10,12H,2,4,6,8H2
InChIKeyMOLIPKPQUNOLPS-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.16
Rot. Bonds

About 1,2,3,4,4a,9a-hexahydrofluoren-9-one

1,2,3,4,4a,9a-hexahydrofluoren-9-one (PubChem CID 604181) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,2,3,4,4a,9a-hexahydrofluoren-9-one.

Molecular Properties

Compound Name1,2,3,4,4a,9a-hexahydrofluoren-9-one
PubChem CID604181
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1,2,3,4,4a,9a-hexahydrofluoren-9-one
SMILESO=C1c2ccccc2C2CCCCC12
InChIInChI=1S/C13H14O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,5,7,10,12H,2,4,6,8H2
InChIKeyMOLIPKPQUNOLPS-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,9a-hexahydrofluoren-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The IUPAC name of 1,2,3,4,4a,9a-hexahydrofluoren-9-one (CID 604181) is 1,2,3,4,4a,9a-hexahydrofluoren-9-one.
What is the SMILES notation for 1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The canonical SMILES for 1,2,3,4,4a,9a-hexahydrofluoren-9-one is O=C1c2ccccc2C2CCCCC12.
What is the InChIKey of 1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The InChIKey is MOLIPKPQUNOLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,5,7,10,12H,2,4,6,8H2.
What are the key properties of 1,2,3,4,4a,9a-hexahydrofluoren-9-one?
1,2,3,4,4a,9a-hexahydrofluoren-9-one has a molecular weight of 186.25 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,9a-hexahydrofluoren-9-one is sourced from PubChem (CID 604181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).