(3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one

C16H16O2 — CID 135054362

IUPAC(3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESC=CC[C@@]12COCC1=C(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H16O2/c1-2-8-16-9-14(17)15(13(16)10-18-11-16)12-6-4-3-5-7-12/h2-7H,1,8-11H2/t16-/m1/s1
InChIKeySSKHPUKZSQWLFP-MRXNPFEDSA-N
MW240.30 g/mol
LogP3.01
Rot. Bonds3

About (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one

(3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one (PubChem CID 135054362) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
PubChem CID135054362
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESC=CC[C@@]12COCC1=C(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H16O2/c1-2-8-16-9-14(17)15(13(16)10-18-11-16)12-6-4-3-5-7-12/h2-7H,1,8-11H2/t16-/m1/s1
InChIKeySSKHPUKZSQWLFP-MRXNPFEDSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one (CID 135054362) is (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one is C=CC[C@@]12COCC1=C(c1ccccc1)C(=O)C2.
What is the InChIKey of (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is SSKHPUKZSQWLFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-8-16-9-14(17)15(13(16)10-18-11-16)12-6-4-3-5-7-12/h2-7H,1,8-11H2/t16-/m1/s1.
What are the key properties of (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one?
(3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 240.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-6-phenyl-3a-prop-2-enyl-3,4-dihydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 135054362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).