4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane

C8H15NO — CID 176647402

IUPAC4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESCC(C)C1COC2CC2N1
InChIInChI=1S/C8H15NO/c1-5(2)7-4-10-8-3-6(8)9-7/h5-9H,3-4H2,1-2H3
InChIKeyQRUKMQSJIHTILY-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds1

About 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane

4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 176647402) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID176647402
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESCC(C)C1COC2CC2N1
InChIInChI=1S/C8H15NO/c1-5(2)7-4-10-8-3-6(8)9-7/h5-9H,3-4H2,1-2H3
InChIKeyQRUKMQSJIHTILY-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane 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

3-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-thieno[3,4-b][1,4]oxazine 6,6-dioxide
CID 115277838
(4S)-2,4-di(propan-2-yl)-1,3-oxazolidine
CID 22951232
(1S,4S,5R)-7,8-di(propan-2-yl)-2-oxa-6-azabicyclo[3.3.1]nonan-4-ol
CID 140812345
(2R,4S)-2-cyclohexyl-4-propan-2-yl-1,3-oxazolidine
CID 131847789
3-ethyl-5-propan-2-ylmorpholine
CID 19773923
(4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine
CID 130730837
[(3R,5R)-5-propan-2-ylmorpholin-3-yl]methanol
CID 124653594
2-(4-bromophenyl)-5-propan-2-ylmorpholine
CID 79247039
3-propan-2-yloxaziridine
CID 175469364
2-(2-methylpropyl)-4-propan-2-ylazetidine
CID 170298327
(5S)-3-methoxy-5-propan-2-ylmorpholin-2-one
CID 10797303
2-(methoxymethyl)-5-propan-2-ylmorpholine
CID 79246310

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane (CID 176647402) is 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane is CC(C)C1COC2CC2N1.
What is the InChIKey of 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is QRUKMQSJIHTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)7-4-10-8-3-6(8)9-7/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane?
4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 141.21 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 176647402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).