spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol

C10H12N2O — CID 115096997

IUPACspiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol
SMILESOc1cccc2c1NCC1(CC1)N2
InChIInChI=1S/C10H12N2O/c13-8-3-1-2-7-9(8)11-6-10(12-7)4-5-10/h1-3,11-13H,4-6H2
InChIKeySUMUADSRPSFNMI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.76
Rot. Bonds

About spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol

spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol (PubChem CID 115096997) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol.

Molecular Properties

Compound Namespiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol
PubChem CID115096997
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Namespiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol
SMILESOc1cccc2c1NCC1(CC1)N2
InChIInChI=1S/C10H12N2O/c13-8-3-1-2-7-9(8)11-6-10(12-7)4-5-10/h1-3,11-13H,4-6H2
InChIKeySUMUADSRPSFNMI-UHFFFAOYSA-N
XLogP1.76
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclobutane]-6-ol
CID 115099268
6-hydroxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
CID 115099256
spiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclopropane]
CID 131150820
2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol
CID 166478069
spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]-5-ol
CID 115097342
6-hydroxy-3,3-dimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115098425
3,3-dimethyl-2,4-dihydro-1H-quinolin-8-ol
CID 84717906
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
(3E)-3-ethylidene-1,2-dihydroindol-4-ol
CID 131423207
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-6-ol
CID 84721061
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol?
The IUPAC name of spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol (CID 115096997) is spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol.
What is the SMILES notation for spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol?
The canonical SMILES for spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol is Oc1cccc2c1NCC1(CC1)N2.
What is the InChIKey of spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol?
The InChIKey is SUMUADSRPSFNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-8-3-1-2-7-9(8)11-6-10(12-7)4-5-10/h1-3,11-13H,4-6H2.
What are the key properties of spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol?
spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol has a molecular weight of 176.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclopropane]-5-ol is sourced from PubChem (CID 115096997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).