4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine

C13H21NO — CID 67950924

IUPAC4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine
SMILESCC1CC(OCC2=CC=CCC2)CN1C
InChIInChI=1S/C13H21NO/c1-11-8-13(9-14(11)2)15-10-12-6-4-3-5-7-12/h3-4,6,11,13H,5,7-10H2,1-2H3
InChIKeyIFTAZTWZWXRNGO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds3

About 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine

4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine (PubChem CID 67950924) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine
PubChem CID67950924
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine
SMILESCC1CC(OCC2=CC=CCC2)CN1C
InChIInChI=1S/C13H21NO/c1-11-8-13(9-14(11)2)15-10-12-6-4-3-5-7-12/h3-4,6,11,13H,5,7-10H2,1-2H3
InChIKeyIFTAZTWZWXRNGO-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine?
The IUPAC name of 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine (CID 67950924) is 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine.
What is the SMILES notation for 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine?
The canonical SMILES for 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine is CC1CC(OCC2=CC=CCC2)CN1C.
What is the InChIKey of 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine?
The InChIKey is IFTAZTWZWXRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-8-13(9-14(11)2)15-10-12-6-4-3-5-7-12/h3-4,6,11,13H,5,7-10H2,1-2H3.
What are the key properties of 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine?
4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine is sourced from PubChem (CID 67950924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).