methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate

C9H15NO3 — CID 170423315

IUPACmethyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
SMILESCOC(=O)C1COCC2CCCN21
InChIInChI=1S/C9H15NO3/c1-12-9(11)8-6-13-5-7-3-2-4-10(7)8/h7-8H,2-6H2,1H3
InChIKeyUWTPTPPDJKXTFE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.02
Rot. Bonds1

About methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate

methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate (PubChem CID 170423315) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
PubChem CID170423315
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
SMILESCOC(=O)C1COCC2CCCN21
InChIInChI=1S/C9H15NO3/c1-12-9(11)8-6-13-5-7-3-2-4-10(7)8/h7-8H,2-6H2,1H3
InChIKeyUWTPTPPDJKXTFE-UHFFFAOYSA-N
XLogP0.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
CID 115882935
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
methyl 4-(2-hydroxycyclohexyl)morpholine-3-carboxylate
CID 104774968
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
methyl 1-(3-methoxycyclohexyl)piperidine-2-carboxylate
CID 113330914
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 1-(3-methylcyclooctyl)azetidine-2-carboxylate
CID 146329427
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate?
The IUPAC name of methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate (CID 170423315) is methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate.
What is the SMILES notation for methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate?
The canonical SMILES for methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate is COC(=O)C1COCC2CCCN21.
What is the InChIKey of methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate?
The InChIKey is UWTPTPPDJKXTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)8-6-13-5-7-3-2-4-10(7)8/h7-8H,2-6H2,1H3.
What are the key properties of methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate?
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate is sourced from PubChem (CID 170423315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).