1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one

C13H20O — CID 58165389

IUPAC1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
SMILESO=C1CCC2CC3CCCCC3CC12
InChIInChI=1S/C13H20O/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)13/h9-12H,1-8H2
InChIKeyAAYBLUWXNMLURK-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.18
Rot. Bonds

About 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one

1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one (PubChem CID 58165389) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
PubChem CID58165389
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one
SMILESO=C1CCC2CC3CCCCC3CC12
InChIInChI=1S/C13H20O/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)13/h9-12H,1-8H2
InChIKeyAAYBLUWXNMLURK-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one with MolForge

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Related Compounds

1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one;tetracyclo[6.5.1.02,7.09,13]tetradecan-11-one
CID 158557679
(8S)-bicyclo[6.1.0]nonan-2-one
CID 90487048
bicyclo[13.1.0]hexadecan-2-one
CID 543951
(1S,6R)-bicyclo[4.1.0]heptan-2-one
CID 10920468
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
bicyclo[3.2.0]heptan-2-one
CID 543759
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
(1S,8R)-bicyclo[6.1.0]nonane-4,5-dione
CID 14201809
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
(1R,4R,8S)-4-methylbicyclo[6.1.0]nonan-2-one
CID 10654411
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189

Frequently Asked Questions

What is the IUPAC name of 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one?
The IUPAC name of 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one (CID 58165389) is 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one.
What is the SMILES notation for 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one?
The canonical SMILES for 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one is O=C1CCC2CC3CCCCC3CC12.
What is the InChIKey of 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one?
The InChIKey is AAYBLUWXNMLURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c14-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)13/h9-12H,1-8H2.
What are the key properties of 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one?
1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one has a molecular weight of 192.30 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 58165389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).