(3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one

C14H15NO3 — CID 12967023

IUPAC(3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one
SMILESO=C1C[C@H]2[C@H](CCCN2C(=O)c2ccccc2)O1
InChIInChI=1S/C14H15NO3/c16-13-9-11-12(18-13)7-4-8-15(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m0/s1
InChIKeyOUWNRHFNSZLCMY-RYUDHWBXSA-N
MW245.28 g/mol
LogP1.61
Rot. Bonds1

About (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one

(3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one (PubChem CID 12967023) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name(3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one
PubChem CID12967023
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one
SMILESO=C1C[C@H]2[C@H](CCCN2C(=O)c2ccccc2)O1
InChIInChI=1S/C14H15NO3/c16-13-9-11-12(18-13)7-4-8-15(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m0/s1
InChIKeyOUWNRHFNSZLCMY-RYUDHWBXSA-N
XLogP1.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one?
The IUPAC name of (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one (CID 12967023) is (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one.
What is the SMILES notation for (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one?
The canonical SMILES for (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one is O=C1C[C@H]2[C@H](CCCN2C(=O)c2ccccc2)O1.
What is the InChIKey of (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one?
The InChIKey is OUWNRHFNSZLCMY-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H15NO3/c16-13-9-11-12(18-13)7-4-8-15(11)14(17)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12-/m0/s1.
What are the key properties of (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one?
(3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-4-benzoyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridin-2-one is sourced from PubChem (CID 12967023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).