1,2,9,9a-tetrahydrofluoren-3-one

C13H12O — CID 12514901

IUPAC1,2,9,9a-tetrahydrofluoren-3-one
SMILESO=C1C=C2c3ccccc3CC2CC1
InChIInChI=1S/C13H12O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-4,8,10H,5-7H2
InChIKeyJROFGDQDOURIRX-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.61
Rot. Bonds

About 1,2,9,9a-tetrahydrofluoren-3-one

1,2,9,9a-tetrahydrofluoren-3-one (PubChem CID 12514901) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,2,9,9a-tetrahydrofluoren-3-one.

Molecular Properties

Compound Name1,2,9,9a-tetrahydrofluoren-3-one
PubChem CID12514901
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name1,2,9,9a-tetrahydrofluoren-3-one
SMILESO=C1C=C2c3ccccc3CC2CC1
InChIInChI=1S/C13H12O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-4,8,10H,5-7H2
InChIKeyJROFGDQDOURIRX-UHFFFAOYSA-N
XLogP2.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3a,4-tetrahydrocyclopenta[a]indene
CID 15439194
1-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one
CID 143668942
(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
CID 11841590
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 5260406
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
CID 44721009
4-phenyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 102550817
tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-one
CID 24972989
1-methyl-3,3a,4,5-tetrahydrocyclopenta[a]naphthalen-2-one
CID 13128872
(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949
(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488951
4-amino-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 118856234
ethane;tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 91364576

Frequently Asked Questions

What is the IUPAC name of 1,2,9,9a-tetrahydrofluoren-3-one?
The IUPAC name of 1,2,9,9a-tetrahydrofluoren-3-one (CID 12514901) is 1,2,9,9a-tetrahydrofluoren-3-one.
What is the SMILES notation for 1,2,9,9a-tetrahydrofluoren-3-one?
The canonical SMILES for 1,2,9,9a-tetrahydrofluoren-3-one is O=C1C=C2c3ccccc3CC2CC1.
What is the InChIKey of 1,2,9,9a-tetrahydrofluoren-3-one?
The InChIKey is JROFGDQDOURIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-4,8,10H,5-7H2.
What are the key properties of 1,2,9,9a-tetrahydrofluoren-3-one?
1,2,9,9a-tetrahydrofluoren-3-one has a molecular weight of 184.24 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9,9a-tetrahydrofluoren-3-one is sourced from PubChem (CID 12514901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).