4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

C10H20N2O2 — CID 130892172

IUPAC4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCOCC(C)N1CCOC2CNCC21
InChIInChI=1S/C10H20N2O2/c1-8(7-13-2)12-3-4-14-10-6-11-5-9(10)12/h8-11H,3-7H2,1-2H3
InChIKeyVVBQVDJMXHEZSH-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.31
Rot. Bonds3

About 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine

4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (PubChem CID 130892172) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
PubChem CID130892172
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
SMILESCOCC(C)N1CCOC2CNCC21
InChIInChI=1S/C10H20N2O2/c1-8(7-13-2)12-3-4-14-10-6-11-5-9(10)12/h8-11H,3-7H2,1-2H3
InChIKeyVVBQVDJMXHEZSH-UHFFFAOYSA-N
XLogP-0.31
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-(1-methoxypropan-2-yl)piperazine
CID 113473151
(4aR,7aR)-4-(2-methylbutyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 130608552
(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493348
(4aR,8aS)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493668
4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;hydrochloride
CID 131137093
(4aR,7aS)-4-(cyclopropylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;hydrochloride
CID 130608443
1-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl)ethanone
CID 126787152
4-but-3-enyl-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;hydrochloride
CID 131107710
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-methoxypropanoic acid
CID 103224698
4-(3-methylcyclobutyl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;hydrochloride
CID 130670957
(4aR,7aS)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 120908791
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120810489

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine (CID 130892172) is 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is COCC(C)N1CCOC2CNCC21.
What is the InChIKey of 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
The InChIKey is VVBQVDJMXHEZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(7-13-2)12-3-4-14-10-6-11-5-9(10)12/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine?
4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine has a molecular weight of 200.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 130892172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).