(3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one

C11H17NO5 — CID 11322476

IUPAC(3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one
SMILESCC1(C)O[C@H]2C[C@@H]3[C@@H](O)[C@@H](O)C(=O)N3C[C@H]2O1
InChIInChI=1S/C11H17NO5/c1-11(2)16-6-3-5-8(13)9(14)10(15)12(5)4-7(6)17-11/h5-9,13-14H,3-4H2,1-2H3/t5-,6+,7-,8-,9-/m1/s1
InChIKeyBBAKPUFORQONAR-ANZWQOBJSA-N
MW243.26 g/mol
LogP-1.16
Rot. Bonds

About (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one

(3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one (PubChem CID 11322476) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one.

Molecular Properties

Compound Name(3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one
PubChem CID11322476
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one
SMILESCC1(C)O[C@H]2C[C@@H]3[C@@H](O)[C@@H](O)C(=O)N3C[C@H]2O1
InChIInChI=1S/C11H17NO5/c1-11(2)16-6-3-5-8(13)9(14)10(15)12(5)4-7(6)17-11/h5-9,13-14H,3-4H2,1-2H3/t5-,6+,7-,8-,9-/m1/s1
InChIKeyBBAKPUFORQONAR-ANZWQOBJSA-N
XLogP-1.16
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one?
The IUPAC name of (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one (CID 11322476) is (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one.
What is the SMILES notation for (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one?
The canonical SMILES for (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one is CC1(C)O[C@H]2C[C@@H]3[C@@H](O)[C@@H](O)C(=O)N3C[C@H]2O1.
What is the InChIKey of (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one?
The InChIKey is BBAKPUFORQONAR-ANZWQOBJSA-N. The full InChI is InChI=1S/C11H17NO5/c1-11(2)16-6-3-5-8(13)9(14)10(15)12(5)4-7(6)17-11/h5-9,13-14H,3-4H2,1-2H3/t5-,6+,7-,8-,9-/m1/s1.
What are the key properties of (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one?
(3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one has a molecular weight of 243.26 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7R,8R,8aR,9aS)-7,8-dihydroxy-2,2-dimethyl-4,7,8,8a,9,9a-hexahydro-3aH-[1,3]dioxolo[4,5-f]indolizin-6-one is sourced from PubChem (CID 11322476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).