2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol

C12H21NO2 — CID 63907196

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol
SMILESOC(CN1CCOC2CCCC21)C1CC1
InChIInChI=1S/C12H21NO2/c14-11(9-4-5-9)8-13-6-7-15-12-3-1-2-10(12)13/h9-12,14H,1-8H2
InChIKeyLDMFMAYOABZNEZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.01
Rot. Bonds3

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol (PubChem CID 63907196) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol
PubChem CID63907196
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol
SMILESOC(CN1CCOC2CCCC21)C1CC1
InChIInChI=1S/C12H21NO2/c14-11(9-4-5-9)8-13-6-7-15-12-3-1-2-10(12)13/h9-12,14H,1-8H2
InChIKeyLDMFMAYOABZNEZ-UHFFFAOYSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol (CID 63907196) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol is OC(CN1CCOC2CCCC21)C1CC1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol?
The InChIKey is LDMFMAYOABZNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11(9-4-5-9)8-13-6-7-15-12-3-1-2-10(12)13/h9-12,14H,1-8H2.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol has a molecular weight of 211.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-cyclopropylethanol is sourced from PubChem (CID 63907196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).