1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane

C5H7NO — CID 163475638

IUPAC1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane
SMILESC1CC1C12NC1O2
InChIInChI=1S/C5H7NO/c1-2-3(1)5-4(6-5)7-5/h3-4,6H,1-2H2
InChIKeyCADSYINLGQSTIY-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.05
Rot. Bonds1

About 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane

1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane (PubChem CID 163475638) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane
PubChem CID163475638
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane
SMILESC1CC1C12NC1O2
InChIInChI=1S/C5H7NO/c1-2-3(1)5-4(6-5)7-5/h3-4,6H,1-2H2
InChIKeyCADSYINLGQSTIY-UHFFFAOYSA-N
XLogP0.05
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2,3-dimethyloxirane
CID 173434239
2,7-dibromotetracyclo[6.2.1.13,6.02,7]dodecane
CID 12649566
(1R,2S,4S,6S,8S,9R)-3,7-dioxapentacyclo[7.2.1.02,4.02,8.06,8]dodecane
CID 98557706
1-cyclopropylbicyclo[1.1.0]butane
CID 123925920
2-cyclopropyl-2-methylaziridine
CID 149208291
12-oxatetracyclo[5.2.2.12,6.02,6]dodecane
CID 13446685
spiro[7-oxa-2-azabicyclo[4.1.0]heptane-3,2'-oxirane]
CID 91304045
3-(2-cyclopropylpyrrolidin-2-yl)pyridin-4-amine
CID 66467867
spiro[6,7-dihydro-5H-furo[3,2-c]pyridine-4,2'-bicyclo[2.2.2]octane]
CID 165476138
bismuthane;λ2-stannane;yttrium
CID 174769618
2-cyclopropyl-2-ethyl-6-methylmorpholine
CID 65122619
1a,3,4,4a,5,6,7,8-octahydronaphtho[1,8a-b]oxiren-2-one
CID 548904

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane?
The IUPAC name of 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane (CID 163475638) is 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane.
What is the SMILES notation for 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane?
The canonical SMILES for 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane is C1CC1C12NC1O2.
What is the InChIKey of 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane?
The InChIKey is CADSYINLGQSTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-2-3(1)5-4(6-5)7-5/h3-4,6H,1-2H2.
What are the key properties of 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane?
1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane has a molecular weight of 97.12 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-oxa-4-azabicyclo[1.1.0]butane is sourced from PubChem (CID 163475638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).