2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine

C9H16N2O — CID 176589813

IUPAC2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC(C)C1=NN2CCOCC2C1
InChIInChI=1S/C9H16N2O/c1-7(2)9-5-8-6-12-4-3-11(8)10-9/h7-8H,3-6H2,1-2H3
InChIKeyTZAXSHPJUSUUTO-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.10
Rot. Bonds1

About 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine

2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 176589813) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID176589813
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine
SMILESCC(C)C1=NN2CCOCC2C1
InChIInChI=1S/C9H16N2O/c1-7(2)9-5-8-6-12-4-3-11(8)10-9/h7-8H,3-6H2,1-2H3
InChIKeyTZAXSHPJUSUUTO-UHFFFAOYSA-N
XLogP1.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z,3R)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]oxan-2-imine
CID 15207821
(Z)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine
CID 10868812
(E)-3-ethyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methylpiperidin-4-imine
CID 177482292

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine (CID 176589813) is 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine is CC(C)C1=NN2CCOCC2C1.
What is the InChIKey of 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is TZAXSHPJUSUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)9-5-8-6-12-4-3-11(8)10-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine?
2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 168.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3a,4,6,7-tetrahydro-3H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 176589813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).