(3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C15H18O2 — CID 15276377

IUPAC(3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCc1ccc2c(c1)[C@@]1(C)CCC[C@]1(C)C(=O)O2
InChIInChI=1S/C15H18O2/c1-10-5-6-12-11(9-10)14(2)7-4-8-15(14,3)13(16)17-12/h5-6,9H,4,7-8H2,1-3H3/t14-,15-/m1/s1
InChIKeyAJPFVAMFLSGCAO-HUUCEWRRSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds

About (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

(3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 15276377) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name(3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID15276377
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCc1ccc2c(c1)[C@@]1(C)CCC[C@]1(C)C(=O)O2
InChIInChI=1S/C15H18O2/c1-10-5-6-12-11(9-10)14(2)7-4-8-15(14,3)13(16)17-12/h5-6,9H,4,7-8H2,1-3H3/t14-,15-/m1/s1
InChIKeyAJPFVAMFLSGCAO-HUUCEWRRSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 15276377) is (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is Cc1ccc2c(c1)[C@@]1(C)CCC[C@]1(C)C(=O)O2.
What is the InChIKey of (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is AJPFVAMFLSGCAO-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H18O2/c1-10-5-6-12-11(9-10)14(2)7-4-8-15(14,3)13(16)17-12/h5-6,9H,4,7-8H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
(3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 230.31 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 15276377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).