8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C9H15N5O2 — CID 130161868

IUPAC8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1COC2(CCN(Cc3nn[nH]n3)CC2)O1
InChIInChI=1S/C9H15N5O2/c1-3-14(7-8-10-12-13-11-8)4-2-9(1)15-5-6-16-9/h1-7H2,(H,10,11,12,13)
InChIKeyAKPYZSUKDSUEGK-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.46
Rot. Bonds2

About 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 130161868) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID130161868
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1COC2(CCN(Cc3nn[nH]n3)CC2)O1
InChIInChI=1S/C9H15N5O2/c1-3-14(7-8-10-12-13-11-8)4-2-9(1)15-5-6-16-9/h1-7H2,(H,10,11,12,13)
InChIKeyAKPYZSUKDSUEGK-UHFFFAOYSA-N
XLogP-0.46
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 130161868) is 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane is C1COC2(CCN(Cc3nn[nH]n3)CC2)O1.
What is the InChIKey of 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AKPYZSUKDSUEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-14(7-8-10-12-13-11-8)4-2-9(1)15-5-6-16-9/h1-7H2,(H,10,11,12,13).
What are the key properties of 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 225.25 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-tetrazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 130161868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).