spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid

C12H16N2O3 — CID 82377104

IUPACspiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
SMILESO=C(O)c1occ2c1NC1(CCCCC1)CN2
InChIInChI=1S/C12H16N2O3/c15-11(16)10-9-8(6-17-10)13-7-12(14-9)4-2-1-3-5-12/h6,13-14H,1-5,7H2,(H,15,16)
InChIKeyLNDPNTYMVNAXII-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.52
Rot. Bonds1

About spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid

spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid (PubChem CID 82377104) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid.

Molecular Properties

Compound Namespiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
PubChem CID82377104
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namespiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
SMILESO=C(O)c1occ2c1NC1(CCCCC1)CN2
InChIInChI=1S/C12H16N2O3/c15-11(16)10-9-8(6-17-10)13-7-12(14-9)4-2-1-3-5-12/h6,13-14H,1-5,7H2,(H,15,16)
InChIKeyLNDPNTYMVNAXII-UHFFFAOYSA-N
XLogP2.52
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
CID 82377124
piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone
CID 146356886
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 115502365
6-bromo-7-fluorospiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclopentane]
CID 116739882
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane]-5-carboxylic acid
CID 82376578
6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
CID 81166977
1,3-diazaspiro[4.5]decan-2-one;2-(trifluoromethyl)pyrimidine
CID 157153560
3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376892
3,4-dihydro-2H-furo[3,4-b][1,4]dioxepine-6-carboxylic acid
CID 83668316
spiro[1,2-dihydroindole-3,1'-cyclobutane]-4-carboxylic acid
CID 139410820
6-methylspiro[3,4-dihydropyrrolo[3,4-b][1,4]thiazine-2,1'-cyclopentane]-7-carboxylic acid
CID 82377717
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
CID 82376580

Frequently Asked Questions

What is the IUPAC name of spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid?
The IUPAC name of spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid (CID 82377104) is spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid.
What is the SMILES notation for spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid?
The canonical SMILES for spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid is O=C(O)c1occ2c1NC1(CCCCC1)CN2.
What is the InChIKey of spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid?
The InChIKey is LNDPNTYMVNAXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11(16)10-9-8(6-17-10)13-7-12(14-9)4-2-1-3-5-12/h6,13-14H,1-5,7H2,(H,15,16).
What are the key properties of spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid?
spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid is sourced from PubChem (CID 82377104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).