2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine

C15H23NO — CID 145138498

IUPAC2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine
SMILESC=CC1=C(C=C)C(C2CCCN2)OC(C)(C)C1
InChIInChI=1S/C15H23NO/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13/h5-6,13-14,16H,1-2,7-10H2,3-4H3
InChIKeySYZZAZVJAMOJMX-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.97
Rot. Bonds3

About 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine

2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine (PubChem CID 145138498) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine
PubChem CID145138498
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine
SMILESC=CC1=C(C=C)C(C2CCCN2)OC(C)(C)C1
InChIInChI=1S/C15H23NO/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13/h5-6,13-14,16H,1-2,7-10H2,3-4H3
InChIKeySYZZAZVJAMOJMX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.97
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-Methyl-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 68044650
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
[(2R,3R)-2-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-3-yl] acetate
CID 70901503
N-[1-(5-methyl-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl)propyl]butan-1-amine
CID 90097561
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
2-[(2,6-Dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
CID 123251310
(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-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine?
The IUPAC name of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine (CID 145138498) is 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine.
What is the SMILES notation for 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine?
The canonical SMILES for 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine is C=CC1=C(C=C)C(C2CCCN2)OC(C)(C)C1.
What is the InChIKey of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine?
The InChIKey is SYZZAZVJAMOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13/h5-6,13-14,16H,1-2,7-10H2,3-4H3.
What are the key properties of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine?
2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine is sourced from PubChem (CID 145138498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).