spiro[4H-quinoxaline-3,3'-oxetane]-2-amine

C10H11N3O — CID 145079272

IUPACspiro[4H-quinoxaline-3,3'-oxetane]-2-amine
SMILESNC1=Nc2ccccc2NC12COC2
InChIInChI=1S/C10H11N3O/c11-9-10(5-14-6-10)13-8-4-2-1-3-7(8)12-9/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyLOAXDIKCUXGSAK-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.87
Rot. Bonds

About spiro[4H-quinoxaline-3,3'-oxetane]-2-amine

spiro[4H-quinoxaline-3,3'-oxetane]-2-amine (PubChem CID 145079272) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is spiro[4H-quinoxaline-3,3'-oxetane]-2-amine.

Molecular Properties

Compound Namespiro[4H-quinoxaline-3,3'-oxetane]-2-amine
PubChem CID145079272
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Namespiro[4H-quinoxaline-3,3'-oxetane]-2-amine
SMILESNC1=Nc2ccccc2NC12COC2
InChIInChI=1S/C10H11N3O/c11-9-10(5-14-6-10)13-8-4-2-1-3-7(8)12-9/h1-4,13H,5-6H2,(H2,11,12)
InChIKeyLOAXDIKCUXGSAK-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[4H-quinoxaline-3,3'-thietane]-2-amine;1,3-xylene
CID 145079384
3-fluoro-1,2-dihydroquinoxaline
CID 151947869
N-(3-chlorophenyl)spiro[4H-quinoxaline-3,4'-thiane]-2-amine
CID 175473514
2,2,4-triethyl-1,3-dihydro-1,5-benzodiazepine
CID 102146713
2,4-diethyl-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 11458601
6-[2-(6-amino-2-pyridinyl)-2-methyl-1,3-dihydro-1,5-benzodiazepin-4-yl]pyridin-2-amine
CID 154700828
(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
CID 789310
2,3-diphenyl-1H-quinoxalin-2-ol
CID 73073640
2,4-bis(furan-2-yl)-2-methyl-1,3-dihydro-1,5-benzodiazepine
CID 13223241
2-butyl-2,3-bis(4-methylphenyl)-1H-quinoxaline
CID 146412109
spiro[5,6a,7,8,9,10-hexahydrobenzo[b][1,4]benzodiazepine-6,1'-cyclohexane] chloride
CID 21240415
(2R)-4-methoxy-2-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-ol
CID 102089657

Frequently Asked Questions

What is the IUPAC name of spiro[4H-quinoxaline-3,3'-oxetane]-2-amine?
The IUPAC name of spiro[4H-quinoxaline-3,3'-oxetane]-2-amine (CID 145079272) is spiro[4H-quinoxaline-3,3'-oxetane]-2-amine.
What is the SMILES notation for spiro[4H-quinoxaline-3,3'-oxetane]-2-amine?
The canonical SMILES for spiro[4H-quinoxaline-3,3'-oxetane]-2-amine is NC1=Nc2ccccc2NC12COC2.
What is the InChIKey of spiro[4H-quinoxaline-3,3'-oxetane]-2-amine?
The InChIKey is LOAXDIKCUXGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-9-10(5-14-6-10)13-8-4-2-1-3-7(8)12-9/h1-4,13H,5-6H2,(H2,11,12).
What are the key properties of spiro[4H-quinoxaline-3,3'-oxetane]-2-amine?
spiro[4H-quinoxaline-3,3'-oxetane]-2-amine has a molecular weight of 189.22 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4H-quinoxaline-3,3'-oxetane]-2-amine is sourced from PubChem (CID 145079272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).