2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine

C13H19NO — CID 145138513

IUPAC2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
SMILESC=CC1=C(C=C)C(C2CCCN2)OCC1
InChIInChI=1S/C13H19NO/c1-3-10-7-9-15-13(11(10)4-2)12-6-5-8-14-12/h3-4,12-14H,1-2,5-9H2
InChIKeyRNMUGZTUDLWORU-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine

2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine (PubChem CID 145138513) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine.

Molecular Properties

Compound Name2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
PubChem CID145138513
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
SMILESC=CC1=C(C=C)C(C2CCCN2)OCC1
InChIInChI=1S/C13H19NO/c1-3-10-7-9-15-13(11(10)4-2)12-6-5-8-14-12/h3-4,12-14H,1-2,5-9H2
InChIKeyRNMUGZTUDLWORU-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138555
2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138576
[(2R,3R)-2-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-3-yl] acetate
CID 70901503
2-[(2,6-Dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
CID 123251310
2-[(Z,2E)-2-ethylidene-1-propan-2-yloxypent-3-enyl]piperidine
CID 129055713
(6S)-4-[(Z)-prop-1-enyl]-6-[(2S)-pyrrolidin-2-yl]-3,6-dihydro-2H-pyran-5-thiol
CID 144197637
2-[Cyclohexa-1,5-dien-1-yl(ethoxy)methyl]piperidine
CID 144549752
2-[3,4-Bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
CID 145138497
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
6-(Cyclohexa-1,3-dien-1-ylmethoxy)-4-azaspiro[2.4]heptane
CID 146640446
3-Cyclohexa-1,5-dien-1-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 156081961

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
The IUPAC name of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine (CID 145138513) is 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine.
What is the SMILES notation for 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
The canonical SMILES for 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine is C=CC1=C(C=C)C(C2CCCN2)OCC1.
What is the InChIKey of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
The InChIKey is RNMUGZTUDLWORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-10-7-9-15-13(11(10)4-2)12-6-5-8-14-12/h3-4,12-14H,1-2,5-9H2.
What are the key properties of 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine is sourced from PubChem (CID 145138513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).