(3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

C10H14O3 — CID 91827079

IUPAC(3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESC=C(C)[C@H]1CC[C@H]2OC(=O)C[C@H]2O1
InChIInChI=1S/C10H14O3/c1-6(2)7-3-4-8-9(12-7)5-10(11)13-8/h7-9H,1,3-5H2,2H3/t7-,8-,9-/m1/s1
InChIKeyAWABGJZCNJGFRA-IWSPIJDZSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds1

About (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one

(3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (PubChem CID 91827079) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name(3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
PubChem CID91827079
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one
SMILESC=C(C)[C@H]1CC[C@H]2OC(=O)C[C@H]2O1
InChIInChI=1S/C10H14O3/c1-6(2)7-3-4-8-9(12-7)5-10(11)13-8/h7-9H,1,3-5H2,2H3/t7-,8-,9-/m1/s1
InChIKeyAWABGJZCNJGFRA-IWSPIJDZSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The IUPAC name of (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one (CID 91827079) is (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is C=C(C)[C@H]1CC[C@H]2OC(=O)C[C@H]2O1.
What is the InChIKey of (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
The InChIKey is AWABGJZCNJGFRA-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H14O3/c1-6(2)7-3-4-8-9(12-7)5-10(11)13-8/h7-9H,1,3-5H2,2H3/t7-,8-,9-/m1/s1.
What are the key properties of (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one?
(3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,7aR)-5-prop-1-en-2-yl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 91827079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).