3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one

C10H15NO2 — CID 130023791

IUPAC3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one
SMILESO=C1NC2CC3CCCC3CC2O1
InChIInChI=1S/C10H15NO2/c12-10-11-8-4-6-2-1-3-7(6)5-9(8)13-10/h6-9H,1-5H2,(H,11,12)
InChIKeyJXMQUYKQPNEYRI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.67
Rot. Bonds

About 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one

3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one (PubChem CID 130023791) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one
PubChem CID130023791
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one
SMILESO=C1NC2CC3CCCC3CC2O1
InChIInChI=1S/C10H15NO2/c12-10-11-8-4-6-2-1-3-7(6)5-9(8)13-10/h6-9H,1-5H2,(H,11,12)
InChIKeyJXMQUYKQPNEYRI-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one with MolForge

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Related Compounds

2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazole-6-carboxylic acid
CID 118271051
5,5-dioxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d][1,3]oxazol-2-one
CID 134811442
5-(dimethylamino)-6-ethoxy-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazol-2-one
CID 153349641
2-iodo-4-oxa-6-azatricyclo[5.2.1.03,8]decan-5-one
CID 20598558
(4aS,9aS)-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[e][1,3]oxazin-2-one
CID 131027015
(4R)-4-cyclohexyl-1,3-oxazolidin-2-one
CID 13347633
2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoxaline
CID 57117001
(6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 90023713
5-methyl-1,3a,4,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 118404444
3-methylidene-3a,4,4a,5,6,7,8,8a,9,9a-decahydrobenzo[f][1]benzofuran-2-one
CID 59806532
3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11665410
(1S,2R,8R)-10-propan-2-yl-5-oxa-3,10-diazatricyclo[4.4.0.02,8]decan-4-one
CID 129231209

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one?
The IUPAC name of 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one (CID 130023791) is 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one.
What is the SMILES notation for 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one?
The canonical SMILES for 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one is O=C1NC2CC3CCCC3CC2O1.
What is the InChIKey of 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one?
The InChIKey is JXMQUYKQPNEYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-11-8-4-6-2-1-3-7(6)5-9(8)13-10/h6-9H,1-5H2,(H,11,12).
What are the key properties of 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one?
3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,4a,5,6,7,7a,8,8a-decahydroindeno[5,6-d][1,3]oxazol-2-one is sourced from PubChem (CID 130023791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).