(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol

C8H13NO3 — CID 130023380

IUPAC(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol
SMILESNC1C2OC3C(COC13)C2CO
InChIInChI=1S/C8H13NO3/c9-5-6-3(1-10)4-2-11-8(5)7(4)12-6/h3-8,10H,1-2,9H2
InChIKeyFBXNFFFOIMHPOC-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.28
Rot. Bonds1

About (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol

(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol (PubChem CID 130023380) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol.

Molecular Properties

Compound Name(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol
PubChem CID130023380
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol
SMILESNC1C2OC3C(COC13)C2CO
InChIInChI=1S/C8H13NO3/c9-5-6-3(1-10)4-2-11-8(5)7(4)12-6/h3-8,10H,1-2,9H2
InChIKeyFBXNFFFOIMHPOC-UHFFFAOYSA-N
XLogP-1.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol?
The IUPAC name of (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol (CID 130023380) is (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol.
What is the SMILES notation for (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol?
The canonical SMILES for (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol is NC1C2OC3C(COC13)C2CO.
What is the InChIKey of (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol?
The InChIKey is FBXNFFFOIMHPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c9-5-6-3(1-10)4-2-11-8(5)7(4)12-6/h3-8,10H,1-2,9H2.
What are the key properties of (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol?
(2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol has a molecular weight of 171.20 g/mol, XLogP of -1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,8-dioxatricyclo[4.2.1.03,7]nonan-9-yl)methanol is sourced from PubChem (CID 130023380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).