(Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol

C13H21NO2 — CID 126607990

IUPAC(Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol
SMILESCC1=C(/C=C\C(C)O)OCC12CCNCC2
InChIInChI=1S/C13H21NO2/c1-10(15)3-4-12-11(2)13(9-16-12)5-7-14-8-6-13/h3-4,10,14-15H,5-9H2,1-2H3/b4-3-
InChIKeyUUOKRUZIWJPKMT-ARJAWSKDSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds2

About (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol

(Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol (PubChem CID 126607990) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol
PubChem CID126607990
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol
SMILESCC1=C(/C=C\C(C)O)OCC12CCNCC2
InChIInChI=1S/C13H21NO2/c1-10(15)3-4-12-11(2)13(9-16-12)5-7-14-8-6-13/h3-4,10,14-15H,5-9H2,1-2H3/b4-3-
InChIKeyUUOKRUZIWJPKMT-ARJAWSKDSA-N
XLogP1.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol?
The IUPAC name of (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol (CID 126607990) is (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol.
What is the SMILES notation for (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol?
The canonical SMILES for (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol is CC1=C(/C=C\C(C)O)OCC12CCNCC2.
What is the InChIKey of (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol?
The InChIKey is UUOKRUZIWJPKMT-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(15)3-4-12-11(2)13(9-16-12)5-7-14-8-6-13/h3-4,10,14-15H,5-9H2,1-2H3/b4-3-.
What are the key properties of (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol?
(Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methyl-2-oxa-8-azaspiro[4.5]dec-3-en-3-yl)but-3-en-2-ol is sourced from PubChem (CID 126607990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).