(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one

C15H20O2 — CID 135054654

IUPAC(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one
SMILESC=C(C)[C@@H]1CC[C@H]2C3=C(OCCC3)C(=O)[C@H]2C1
InChIInChI=1S/C15H20O2/c1-9(2)10-5-6-11-12-4-3-7-17-15(12)14(16)13(11)8-10/h10-11,13H,1,3-8H2,2H3/t10-,11+,13+/m1/s1
InChIKeyBOEDAYNVMDRNBX-MDZLAQPJSA-N
MW232.32 g/mol
LogP3.24
Rot. Bonds1

About (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one

(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one (PubChem CID 135054654) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one.

Molecular Properties

Compound Name(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one
PubChem CID135054654
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one
SMILESC=C(C)[C@@H]1CC[C@H]2C3=C(OCCC3)C(=O)[C@H]2C1
InChIInChI=1S/C15H20O2/c1-9(2)10-5-6-11-12-4-3-7-17-15(12)14(16)13(11)8-10/h10-11,13H,1,3-8H2,2H3/t10-,11+,13+/m1/s1
InChIKeyBOEDAYNVMDRNBX-MDZLAQPJSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one?
The IUPAC name of (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one (CID 135054654) is (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one.
What is the SMILES notation for (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one?
The canonical SMILES for (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one is C=C(C)[C@@H]1CC[C@H]2C3=C(OCCC3)C(=O)[C@H]2C1.
What is the InChIKey of (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one?
The InChIKey is BOEDAYNVMDRNBX-MDZLAQPJSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)10-5-6-11-12-4-3-7-17-15(12)14(16)13(11)8-10/h10-11,13H,1,3-8H2,2H3/t10-,11+,13+/m1/s1.
What are the key properties of (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one?
(4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one has a molecular weight of 232.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,7R,8aS)-7-prop-1-en-2-yl-3,4,4b,5,6,7,8,8a-octahydro-2H-indeno[2,1-b]pyran-9-one is sourced from PubChem (CID 135054654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).