3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine

C9H15NO3 — CID 115010708

IUPAC3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
SMILESCC12COC(C3CCNC3)(OC1)O2
InChIInChI=1S/C9H15NO3/c1-8-5-11-9(13-8,12-6-8)7-2-3-10-4-7/h7,10H,2-6H2,1H3
InChIKeyOCEXFIDVNUYWMB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.09
Rot. Bonds1

About 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine

3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine (PubChem CID 115010708) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
PubChem CID115010708
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
SMILESCC12COC(C3CCNC3)(OC1)O2
InChIInChI=1S/C9H15NO3/c1-8-5-11-9(13-8,12-6-8)7-2-3-10-4-7/h7,10H,2-6H2,1H3
InChIKeyOCEXFIDVNUYWMB-UHFFFAOYSA-N
XLogP0.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)piperidine
CID 116986972
N-methyl-1-[(3R)-pyrrolidin-3-yl]cyclopropan-1-amine
CID 54264845
4-(4-methyloxan-4-yl)piperidine
CID 83906763
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
7,7-di(propan-2-yl)-3-azabicyclo[4.1.1]octane
CID 58352776
3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064333
1-pyrrolidin-3-ylcyclopropan-1-amine;hydrochloride
CID 135392119
2,5,5-trimethyl-2-piperidin-4-yl-1,3-oxazinane;hydrochloride
CID 117226234
3-(7-fluoro-3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)pyrrolidine
CID 115062957
4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
3-(1-cyclopropylcyclopentyl)pyrrolidine
CID 83906393
3,3-dimethyl-1-piperidin-3-ylcyclobutan-1-amine
CID 115016310

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine?
The IUPAC name of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine (CID 115010708) is 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine.
What is the SMILES notation for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine?
The canonical SMILES for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine is CC12COC(C3CCNC3)(OC1)O2.
What is the InChIKey of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine?
The InChIKey is OCEXFIDVNUYWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8-5-11-9(13-8,12-6-8)7-2-3-10-4-7/h7,10H,2-6H2,1H3.
What are the key properties of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine?
3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine has a molecular weight of 185.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine is sourced from PubChem (CID 115010708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).