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

C17H29NO — CID 145138497

IUPAC2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
SMILESC=CC1=C(C=C)C(C2CCCN2)OC(C)(C)C1.CC
InChIInChI=1S/C15H23NO.C2H6/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13;1-2/h5-6,13-14,16H,1-2,7-10H2,3-4H3;1-2H3
InChIKeyFVMDEKNBSAMYPW-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.00
Rot. Bonds3

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

2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane (PubChem CID 145138497) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane.

Molecular Properties

Compound Name2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
PubChem CID145138497
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
SMILESC=CC1=C(C=C)C(C2CCCN2)OC(C)(C)C1.CC
InChIInChI=1S/C15H23NO.C2H6/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13;1-2/h5-6,13-14,16H,1-2,7-10H2,3-4H3;1-2H3
InChIKeyFVMDEKNBSAMYPW-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.00
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
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
4-(4-butoxy-5-methylcyclohexa-1,5-dien-1-yl)-2-[(E)-hex-1-enyl]pyrrolidine
CID 141940455
(6S)-4-[(Z)-prop-1-enyl]-6-[(2S)-pyrrolidin-2-yl]-3,6-dihydro-2H-pyran-5-thiol
CID 144197637
2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138513
2-(5-Ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
CID 145138570
(2R)-2-[(5-ethyl-3-methylcyclohexa-1,5-dien-1-yl)oxymethyl]pyrrolidine;molecular hydrogen
CID 145472969

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane?
The IUPAC name of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane (CID 145138497) is 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane.
What is the SMILES notation for 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane?
The canonical SMILES for 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane is C=CC1=C(C=C)C(C2CCCN2)OC(C)(C)C1.CC.
What is the InChIKey of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane?
The InChIKey is FVMDEKNBSAMYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C2H6/c1-5-11-10-15(3,4)17-14(12(11)6-2)13-8-7-9-16-13;1-2/h5-6,13-14,16H,1-2,7-10H2,3-4H3;1-2H3.
What are the key properties of 2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane?
2-[3,4-bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane has a molecular weight of 263.42 g/mol, XLogP of 4.00, 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;ethane is sourced from PubChem (CID 145138497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).