3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol

C9H17NO4 — CID 67341873

IUPAC3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol
SMILESCC1(C)OC2C(O)CNCC2(CO)O1
InChIInChI=1S/C9H17NO4/c1-8(2)13-7-6(12)3-10-4-9(7,5-11)14-8/h6-7,10-12H,3-5H2,1-2H3
InChIKeyHZBVQDVFISQCBS-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.17
Rot. Bonds1

About 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol

3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol (PubChem CID 67341873) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol
PubChem CID67341873
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol
SMILESCC1(C)OC2C(O)CNCC2(CO)O1
InChIInChI=1S/C9H17NO4/c1-8(2)13-7-6(12)3-10-4-9(7,5-11)14-8/h6-7,10-12H,3-5H2,1-2H3
InChIKeyHZBVQDVFISQCBS-UHFFFAOYSA-N
XLogP-1.17
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol?
The IUPAC name of 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol (CID 67341873) is 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol?
The canonical SMILES for 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol is CC1(C)OC2C(O)CNCC2(CO)O1.
What is the InChIKey of 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol?
The InChIKey is HZBVQDVFISQCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(2)13-7-6(12)3-10-4-9(7,5-11)14-8/h6-7,10-12H,3-5H2,1-2H3.
What are the key properties of 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol?
3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol has a molecular weight of 203.24 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-4H-[1,3]dioxolo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 67341873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).