(2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol

C7H13NO2 — CID 84648863

IUPAC(2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol
SMILESNC1(CO)CC12CCOC2
InChIInChI=1S/C7H13NO2/c8-7(4-9)3-6(7)1-2-10-5-6/h9H,1-5,8H2
InChIKeyMCFBLOUGMCMCCZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.51
Rot. Bonds1

About (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol

(2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol (PubChem CID 84648863) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol
PubChem CID84648863
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol
SMILESNC1(CO)CC12CCOC2
InChIInChI=1S/C7H13NO2/c8-7(4-9)3-6(7)1-2-10-5-6/h9H,1-5,8H2
InChIKeyMCFBLOUGMCMCCZ-UHFFFAOYSA-N
XLogP-0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol?
The IUPAC name of (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol (CID 84648863) is (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol.
What is the SMILES notation for (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol?
The canonical SMILES for (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol is NC1(CO)CC12CCOC2.
What is the InChIKey of (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol?
The InChIKey is MCFBLOUGMCMCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c8-7(4-9)3-6(7)1-2-10-5-6/h9H,1-5,8H2.
What are the key properties of (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol?
(2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol has a molecular weight of 143.19 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-oxaspiro[2.4]heptan-2-yl)methanol is sourced from PubChem (CID 84648863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).