3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C12H23NO — CID 58530859

IUPAC3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)(C)CC1CN2CCCC2CO1
InChIInChI=1S/C12H23NO/c1-12(2,3)7-11-8-13-6-4-5-10(13)9-14-11/h10-11H,4-9H2,1-3H3
InChIKeyXXTYGYGZWAOQAB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.29
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 58530859) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID58530859
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESCC(C)(C)CC1CN2CCCC2CO1
InChIInChI=1S/C12H23NO/c1-12(2,3)7-11-8-13-6-4-5-10(13)9-14-11/h10-11H,4-9H2,1-3H3
InChIKeyXXTYGYGZWAOQAB-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 58530859) is 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is CC(C)(C)CC1CN2CCCC2CO1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is XXTYGYGZWAOQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)7-11-8-13-6-4-5-10(13)9-14-11/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 197.32 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 58530859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).