2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine

C12H19NO — CID 169112283

IUPAC2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine
SMILESCN1CCCC1COC1=CCCC=C1
InChIInChI=1S/C12H19NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h3,7-8,11H,2,4-6,9-10H2,1H3
InChIKeyBYPMNUJCMGDWNY-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds3

About 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine

2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine (PubChem CID 169112283) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine
PubChem CID169112283
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine
SMILESCN1CCCC1COC1=CCCC=C1
InChIInChI=1S/C12H19NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h3,7-8,11H,2,4-6,9-10H2,1H3
InChIKeyBYPMNUJCMGDWNY-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
4-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,2-dimethylpyrrolidine
CID 67950924
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]oxymethyl]pyrrolidine
CID 142125216
1-methyl-2-[[(3Z)-penta-1,3-dien-2-yl]oxymethyl]pyrrolidine
CID 142360194
2-[[(2E,4E,6Z)-5-ethenyl-11-[(3E)-hexa-1,3,5-trien-3-yl]oxy-6-methoxy-8-methylideneundeca-2,4,6-trien-3-yl]oxymethyl]-1-methylpyrrolidine
CID 143976883
Ethane;1-[2-(2-methylcyclohexa-1,5-dien-1-yl)oxyethyl]pyrrolidine
CID 144722673
3-[(6E,8Z)-7-methoxyundeca-6,8,10-trien-3-yl]-1,3-oxazolidine
CID 166863142
3-Cyclohexa-1,5-dien-1-yloxy-1-methylpyrrolidine
CID 173000734
3-Cyclohexa-1,5-dien-1-yloxy-1-(oxan-4-yl)pyrrolidine
CID 176015689
(Z)-(2-methoxycyclohexa-2,5-dien-1-ylidene)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanol
CID 14223716
(Z)-(2-methoxycyclohexa-2,5-dien-1-ylidene)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanolate
CID 101624541
(2S)-2-(cyclopenten-1-yloxymethyl)-1-methylpyrrolidine
CID 102396130

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine?
The IUPAC name of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine (CID 169112283) is 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine is CN1CCCC1COC1=CCCC=C1.
What is the InChIKey of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine?
The InChIKey is BYPMNUJCMGDWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-13-9-5-6-11(13)10-14-12-7-3-2-4-8-12/h3,7-8,11H,2,4-6,9-10H2,1H3.
What are the key properties of 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine?
2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-1,5-dien-1-yloxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 169112283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).