(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene

C19H24 — CID 11779999

IUPAC(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene
SMILESC[C@]1(c2ccccc2)C2=C(CCCC2)[C@H]2CCC[C@H]21
InChIInChI=1S/C19H24/c1-19(14-8-3-2-4-9-14)17-12-6-5-10-15(17)16-11-7-13-18(16)19/h2-4,8-9,16,18H,5-7,10-13H2,1H3/t16-,18-,19+/m1/s1
InChIKeyPXSHEVUJNUPSEK-QRQLOZEOSA-N
MW252.40 g/mol
LogP5.24
Rot. Bonds1

About (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene

(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene (PubChem CID 11779999) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene.

Molecular Properties

Compound Name(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene
PubChem CID11779999
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene
SMILESC[C@]1(c2ccccc2)C2=C(CCCC2)[C@H]2CCC[C@H]21
InChIInChI=1S/C19H24/c1-19(14-8-3-2-4-9-14)17-12-6-5-10-15(17)16-11-7-13-18(16)19/h2-4,8-9,16,18H,5-7,10-13H2,1H3/t16-,18-,19+/m1/s1
InChIKeyPXSHEVUJNUPSEK-QRQLOZEOSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene with MolForge

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

Launch Full Analysis

Related Compounds

(3aR,4S,6aS)-4,5-dimethyl-4,6-diphenyl-2,3,3a,6a-tetrahydro-1H-pentalene
CID 102012333
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
CID 131179314
(3R,3aR,3bR,11aS,11bS)-3-methyl-3-phenyl-3a,3b,4,5,6,7,8,9,10,11,11a,11b-dodecahydrophenanthro[9,10-c]furan-1-one
CID 1378996
(1S,2S,6R,7S,8S)-8-methyl-7-phenyl-13,14-diazatetracyclo[5.5.2.01,8.02,6]tetradec-13-ene
CID 11780936
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
(3aS)-1-methyl-3,3-diphenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]oxaborole
CID 58662964
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(2R,6R,7S,11R)-2-phenyltetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene
CID 15267160
(1S,2S,6R,7R)-4-phenyl-4-azatetracyclo[13.6.0.02,6.07,14]henicos-14-ene-3,5-dione
CID 22296712
(1S,2S,6R,7S)-1-ethenyl-10,10-dimethyl-7-phenyl-8,9-diazatricyclo[5.2.1.02,6]dec-8-ene
CID 10587844
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene?
The IUPAC name of (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene (CID 11779999) is (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene.
What is the SMILES notation for (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene?
The canonical SMILES for (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene is C[C@]1(c2ccccc2)C2=C(CCCC2)[C@H]2CCC[C@H]21.
What is the InChIKey of (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene?
The InChIKey is PXSHEVUJNUPSEK-QRQLOZEOSA-N. The full InChI is InChI=1S/C19H24/c1-19(14-8-3-2-4-9-14)17-12-6-5-10-15(17)16-11-7-13-18(16)19/h2-4,8-9,16,18H,5-7,10-13H2,1H3/t16-,18-,19+/m1/s1.
What are the key properties of (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene?
(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene has a molecular weight of 252.40 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene is sourced from PubChem (CID 11779999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).