1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine

C12H19NO — CID 12570836

IUPAC1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine
SMILESCC1C=C(N2CCCC2)C2OC2(C)C1
InChIInChI=1S/C12H19NO/c1-9-7-10(13-5-3-4-6-13)11-12(2,8-9)14-11/h7,9,11H,3-6,8H2,1-2H3
InChIKeyGFQXXNPUKLDRJG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.16
Rot. Bonds1

About 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine

1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine (PubChem CID 12570836) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine
PubChem CID12570836
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine
SMILESCC1C=C(N2CCCC2)C2OC2(C)C1
InChIInChI=1S/C12H19NO/c1-9-7-10(13-5-3-4-6-13)11-12(2,8-9)14-11/h7,9,11H,3-6,8H2,1-2H3
InChIKeyGFQXXNPUKLDRJG-UHFFFAOYSA-N
XLogP2.16
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,6-Trimethyl-2-(1-piperidino)-7-oxabicyclo[4.1.0]hept-2-ene
CID 609731
4,4,6-Trimethyl-2-(4-morpholino)-7-oxabicyclo[4.1.0]hept-2-ene
CID 610274
2,3-Di(propan-2-yl)-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 58185394
3-Methyl-2-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68044601
2-Methyl-3-propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68047222
2,3-Dimethyl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68220319
2-Ethyl-3-methyl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68383250
2,3-Dimethyl-6-oxa-2-azaspiro[4.5]dec-8-ene;ethane
CID 144226837
2,3-Dimethyl-6-oxa-2-azaspiro[4.5]dec-8-ene;ethane
CID 144262417
4-(6-Methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)morpholine
CID 12417885
1-(6-Methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)piperidine
CID 12417886
1-(4,4,6-Trimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)azepane
CID 12417887

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine?
The IUPAC name of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine (CID 12570836) is 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine is CC1C=C(N2CCCC2)C2OC2(C)C1.
What is the InChIKey of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine?
The InChIKey is GFQXXNPUKLDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-7-10(13-5-3-4-6-13)11-12(2,8-9)14-11/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine?
1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)pyrrolidine is sourced from PubChem (CID 12570836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).