[(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol

C9H17NO3 — CID 11858615

IUPAC[(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol
SMILESC[C@H]1N[C@H](CO)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C9H17NO3/c1-5-7-8(6(4-11)10-5)13-9(2,3)12-7/h5-8,10-11H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1
InChIKeyIWQVIAWVEARYPY-OOJXKGFFSA-N
MW187.24 g/mol
LogP-0.14
Rot. Bonds1

About [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol

[(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol (PubChem CID 11858615) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol.

Molecular Properties

Compound Name[(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol
PubChem CID11858615
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol
SMILESC[C@H]1N[C@H](CO)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C9H17NO3/c1-5-7-8(6(4-11)10-5)13-9(2,3)12-7/h5-8,10-11H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1
InChIKeyIWQVIAWVEARYPY-OOJXKGFFSA-N
XLogP-0.14
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol?
The IUPAC name of [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol (CID 11858615) is [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol.
What is the SMILES notation for [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol?
The canonical SMILES for [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol is C[C@H]1N[C@H](CO)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol?
The InChIKey is IWQVIAWVEARYPY-OOJXKGFFSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-7-8(6(4-11)10-5)13-9(2,3)12-7/h5-8,10-11H,4H2,1-3H3/t5-,6-,7+,8-/m1/s1.
What are the key properties of [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol?
[(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol has a molecular weight of 187.24 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6R,6aS)-2,2,6-trimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methanol is sourced from PubChem (CID 11858615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).