2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine

C13H21NO — CID 123251310

IUPAC2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
SMILESCC1=CC=CC(C)C1OCC1CCCN1
InChIInChI=1S/C13H21NO/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,10,12-14H,4,7-9H2,1-2H3
InChIKeyYOUAZISQYUELRJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds3

About 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine

2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine (PubChem CID 123251310) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
PubChem CID123251310
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
SMILESCC1=CC=CC(C)C1OCC1CCCN1
InChIInChI=1S/C13H21NO/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,10,12-14H,4,7-9H2,1-2H3
InChIKeyYOUAZISQYUELRJ-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]pyrrolidine
CID 142853190
2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138576
3-Ethyl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68390210
3-Propan-2-yl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68390271
4-Methoxy-2-methyl-4-[3-methyl-4-(3-methylideneocta-1,4,6-trien-4-yl)cyclohexa-1,5-dien-1-yl]pyrrolidine
CID 91595659
N-[[(1S)-1,3,4,7-tetrahydrocyclopenta[c]pyran-1-yl]methyl]ethanamine
CID 129016184
CID 141767357
CID 141767357
4-(4-butoxy-5-methylcyclohexa-1,5-dien-1-yl)-2-[(E)-hex-1-enyl]pyrrolidine
CID 141940455
2-[[(2E,4Z)-hepta-2,4-dien-3-yl]oxymethyl]pyrrolidine
CID 142125216
(6S)-4-[(Z)-prop-1-enyl]-6-[(2S)-pyrrolidin-2-yl]-3,6-dihydro-2H-pyran-5-thiol
CID 144197637
2-[3,4-Bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
CID 145138497
2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138513

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine?
The IUPAC name of 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine (CID 123251310) is 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine is CC1=CC=CC(C)C1OCC1CCCN1.
What is the InChIKey of 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine?
The InChIKey is YOUAZISQYUELRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,10,12-14H,4,7-9H2,1-2H3.
What are the key properties of 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine?
2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 123251310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).