(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene

C10H14 — CID 18640213

IUPAC(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
SMILESC1=C2CC2C2CCCC[C@H]12
InChIInChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h5,7,9-10H,1-4,6H2/t7-,9?,10?/m1/s1
InChIKeyHBDYKCYJDRVZRM-CUUXFQNZSA-N
MW134.22 g/mol
LogP2.75
Rot. Bonds

About (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene

(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene (PubChem CID 18640213) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene.

Molecular Properties

Compound Name(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
PubChem CID18640213
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene
SMILESC1=C2CC2C2CCCC[C@H]12
InChIInChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h5,7,9-10H,1-4,6H2/t7-,9?,10?/m1/s1
InChIKeyHBDYKCYJDRVZRM-CUUXFQNZSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene
CID 175558518
tetracyclo[4.4.0.02,4.07,9]dec-4-ene
CID 163437767
[(1R,4aR,8aR)-1-methyl-4a,5,6,7,8,8a-hexahydro-1H-isochromen-3-yl]oxy-trimethylsilane
CID 46938779
(1aR,3aS,7aS,7bS)-1,3a,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalene-1a,2-dicarbaldehyde
CID 101385742
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
4-[(1R,4aS,8aS)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]benzaldehyde
CID 162964394
4-hydroxy-3-methyl-3a,4,4a,5,6,7,8,8a-octahydro-3H-benzo[f][2]benzofuran-1-one
CID 22463400
(4bR,10R,10aS)-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1,10-diol
CID 100936275
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.5.0.02,6]dodecane
CID 578151
1-cyclobutylcyclobutene
CID 556361
2,3,3a,4a,5,6,7,8,8a,8b-decahydro-1H-cyclopenta[a]inden-4-one
CID 154595410

Frequently Asked Questions

What is the IUPAC name of (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
The IUPAC name of (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene (CID 18640213) is (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene.
What is the SMILES notation for (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
The canonical SMILES for (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene is C1=C2CC2C2CCCC[C@H]12.
What is the InChIKey of (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
The InChIKey is HBDYKCYJDRVZRM-CUUXFQNZSA-N. The full InChI is InChI=1S/C10H14/c1-2-4-9-7(3-1)5-8-6-10(8)9/h5,7,9-10H,1-4,6H2/t7-,9?,10?/m1/s1.
What are the key properties of (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene?
(5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene has a molecular weight of 134.22 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS)-1,1a,1b,2,3,4,5,5a-octahydrocyclopropa[a]indene is sourced from PubChem (CID 18640213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).