5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid

C13H18N2O3 — CID 82377689

IUPAC5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1NCC1(CCCCC1)O2
InChIInChI=1S/C13H18N2O3/c1-15-9(12(16)17)7-10-11(15)14-8-13(18-10)5-3-2-4-6-13/h7,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyWMFRSWKKLYELRC-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.23
Rot. Bonds1

About 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid

5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid (PubChem CID 82377689) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid.

Molecular Properties

Compound Name5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
PubChem CID82377689
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
SMILESCn1c(C(=O)O)cc2c1NCC1(CCCCC1)O2
InChIInChI=1S/C13H18N2O3/c1-15-9(12(16)17)7-10-11(15)14-8-13(18-10)5-3-2-4-6-13/h7,14H,2-6,8H2,1H3,(H,16,17)
InChIKeyWMFRSWKKLYELRC-UHFFFAOYSA-N
XLogP2.23
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid with MolForge

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Related Compounds

spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane]-5-carboxylic acid
CID 82376578
1,5-dimethylspiro[2H-pyrrolo[2,3-b][1,4]oxazine-3,1'-cyclopentane]-6-carboxylic acid
CID 82377641
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
CID 82376580
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
CID 82377124
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
CID 115098139
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclopentane]
CID 82377337
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
1-oxa-3-azaspiro[4.5]decane-2-thione
CID 10236033
(5R)-9-(3-methyl-2-oxo-1,3-benzoxazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95716081
2-methyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylimidazole-4-carboxylic acid
CID 68938650
(2R)-1'-acetylspiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 92549161
6-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopentane]
CID 81197670

Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid?
The IUPAC name of 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid (CID 82377689) is 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid.
What is the SMILES notation for 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid?
The canonical SMILES for 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid is Cn1c(C(=O)O)cc2c1NCC1(CCCCC1)O2.
What is the InChIKey of 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid?
The InChIKey is WMFRSWKKLYELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-9(12(16)17)7-10-11(15)14-8-13(18-10)5-3-2-4-6-13/h7,14H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid?
5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid is sourced from PubChem (CID 82377689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).