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

C15H18O2 — CID 11085591

IUPAC(3aR,9bS)-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-/m0/s1
InChIKeyAJPFVAMFLSGCAO-GJZGRUSLSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds

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

(3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 11085591) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name(3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID11085591
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(3aR,9bS)-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-/m0/s1
InChIKeyAJPFVAMFLSGCAO-GJZGRUSLSA-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'}

Analyze (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one with MolForge

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Related Compounds

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CID 660
6-Methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 3791643
3,4-Dihydro-6-methylcoumarin
CID 66708
2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
CID 28818
methyl 2-(2,2-dimethyl-2H-chromen-6-yl)acetate
CID 46918460
5-methyl-3-phenyl-1-benzofuran-2(3H)-one
CID 3504521
3,4-Dihydro-4-methyl-2H-1-benzopyran-2-one
CID 95550
2(3H)-Benzofuranone, 3,3-dimethyl-
CID 595620
5,7-Di-tert-butyl-3-(2,3-dimethylphenyl)-2(3H)-benzofuranone
CID 9798510
(2,6-Ditert-butyl-4-methylphenyl) 2-phenylpent-4-enoate
CID 42601243
4,4,7,8-Tetramethyl-2-chromanone
CID 605169
6-(Tert-butyl)-4-(4-methoxyphenyl)chroman-2-one
CID 626461

Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 11085591) is (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for (3aR,9bS)-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 (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is AJPFVAMFLSGCAO-GJZGRUSLSA-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-/m0/s1.
What are the key properties of (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
(3aR,9bS)-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 (3aR,9bS)-3a,8,9b-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 11085591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).