spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]

C6H9NO2 — CID 91304045

IUPACspiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]
SMILESC1CC2(CO2)NC2OC12
InChIInChI=1S/C6H9NO2/c1-2-6(3-8-6)7-5-4(1)9-5/h4-5,7H,1-3H2
InChIKeyAYTUFJDVODYBSY-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.18
Rot. Bonds

About spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]

spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane] (PubChem CID 91304045) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane].

Molecular Properties

Compound Namespiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]
PubChem CID91304045
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Namespiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]
SMILESC1CC2(CO2)NC2OC12
InChIInChI=1S/C6H9NO2/c1-2-6(3-8-6)7-5-4(1)9-5/h4-5,7H,1-3H2
InChIKeyAYTUFJDVODYBSY-UHFFFAOYSA-N
XLogP-0.18
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane] 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

1-oxa-7-azaspiro[2.4]heptan-6-ylmethanol
CID 129208532
7-oxa-3-thia-2-azabicyclo[4.1.0]heptane
CID 155135796
(3S)-3-(trifluoromethyl)-1-oxa-4-azaspiro[4.5]decan-8-amine
CID 158658734
3,3,9-trimethyl-4-propan-2-yl-1-oxa-5-azaspiro[5.5]undecane
CID 165484839
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 13062431
ethane;7-methyl-1,4-dioxa-6-azaspiro[4.4]nonane
CID 145305443
1-oxa-8-azaspiro[2.5]octane
CID 88694842
methyl 8-hydroxy-1-oxa-4-azaspiro[4.5]decane-3-carboxylate
CID 165447867
1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane
CID 163475638
(1S,6S)-3,3-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 98113382
methyl 8-methyl-1-oxa-4-azaspiro[4.4]nonane-3-carboxylate
CID 165444556
2-methyl-7-oxa-1-azaspiro[4.4]nonane
CID 83479109

Frequently Asked Questions

What is the IUPAC name of spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]?
The IUPAC name of spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane] (CID 91304045) is spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane].
What is the SMILES notation for spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]?
The canonical SMILES for spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane] is C1CC2(CO2)NC2OC12.
What is the InChIKey of spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]?
The InChIKey is AYTUFJDVODYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-6(3-8-6)7-5-4(1)9-5/h4-5,7H,1-3H2.
What are the key properties of spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]?
spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane] has a molecular weight of 127.14 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane] is sourced from PubChem (CID 91304045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).