1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane

C12H21NO — CID 167660242

IUPAC1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane
SMILESC1CC2(C1)COC2.C1CN2CCC1C2
InChIInChI=1S/C6H11N.C6H10O/c1-3-7-4-2-6(1)5-7;1-2-6(3-1)4-7-5-6/h6H,1-5H2;1-5H2
InChIKeyRVRXTRCAQDERGP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.90
Rot. Bonds

About 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane

1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane (PubChem CID 167660242) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane
PubChem CID167660242
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane
SMILESC1CC2(C1)COC2.C1CN2CCC1C2
InChIInChI=1S/C6H11N.C6H10O/c1-3-7-4-2-6(1)5-7;1-2-6(3-1)4-7-5-6/h6H,1-5H2;1-5H2
InChIKeyRVRXTRCAQDERGP-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]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

1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane
CID 160816755
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
[2-(2-oxa-8-azaspiro[3.5]nonane-8-carbonyl)cyclobutyl]-(2-oxa-8-azaspiro[3.5]nonan-8-yl)methanone
CID 155955717
10-azatricyclo[8.2.1.03,7]tridecane
CID 54001237
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-6-oxa-2-azaspiro[3.4]octane
CID 163601733
2-oxa-7-azaspiro[3.5]nonan-7-yl(oxolan-2-yl)methanone
CID 131655037
2-oxa-7-azaspiro[3.5]nonan-7-yl-[(2S)-pyrrolidin-2-yl]methanone
CID 129497245
sodium 1-azabicyclo[2.2.2]octane
CID 172740367
4-oxa-1-azabicyclo[4.2.2]decane
CID 118209761
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
7,9-dimethyl-1,6,12-triazatricyclo[10.2.2.23,6]octadecane
CID 177178858

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane?
The IUPAC name of 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane (CID 167660242) is 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane is C1CC2(C1)COC2.C1CN2CCC1C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane?
The InChIKey is RVRXTRCAQDERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C6H10O/c1-3-7-4-2-6(1)5-7;1-2-6(3-1)4-7-5-6/h6H,1-5H2;1-5H2.
What are the key properties of 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane?
1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane has a molecular weight of 195.31 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;2-oxaspiro[3.3]heptane is sourced from PubChem (CID 167660242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).