4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane

C13H23NO — CID 144527631

IUPAC4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane
SMILESC=CC1=C(C=C)N(C)C(CC)C1O.CC
InChIInChI=1S/C11H17NO.C2H6/c1-5-8-9(6-2)12(4)10(7-3)11(8)13;1-2/h5-6,10-11,13H,1-2,7H2,3-4H3;1-2H3
InChIKeyZZSRLZCZENXRSU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.72
Rot. Bonds3

About 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane

4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane (PubChem CID 144527631) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane
PubChem CID144527631
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane
SMILESC=CC1=C(C=C)N(C)C(CC)C1O.CC
InChIInChI=1S/C11H17NO.C2H6/c1-5-8-9(6-2)12(4)10(7-3)11(8)13;1-2/h5-6,10-11,13H,1-2,7H2,3-4H3;1-2H3
InChIKeyZZSRLZCZENXRSU-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-cyclopenta-1,4-dien-1-yl-2-(dimethylamino)-3,3-dimethylbutan-1-ol
CID 58532978
(1S,2R)-1-cyclopenta-1,4-dien-1-yl-2-(dimethylamino)-3,3-dimethylbutan-1-ol
CID 58533213
(3S,6R)-6-ethyl-1-methyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 117945283
1-Cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
CID 118056216
(3R,4E,6Z)-4-ethenyl-2-pyrrolidin-1-ylocta-4,6-dien-3-ol
CID 141912419
1-Cyclohepta-1,3,5-trien-1-yl-2-pyrrolidin-1-ylpropan-1-ol;ethane
CID 142823073
(3E,4Z,6Z)-3-ethylidene-1-[[(2S)-1-hydroxypropan-2-yl]-propylamino]-7-methyl-6-[methyl(prop-1-en-2-yl)amino]nona-4,6-dien-2-ol
CID 143271702
(2S,3E)-3-ethenyl-1-[methyl(propan-2-yl)amino]hexa-3,5-dien-2-ol
CID 143492500
1-Cyclohexa-1,5-dien-1-yl-2-(dimethylamino)propan-1-ol
CID 156192221
(1S)-1-cyclohepta-1,3,5-trien-1-yl-2-(dimethylamino)propan-1-ol
CID 163955636
1,1-Dimethyl-2,5,6,7-tetrahydrocyclopenta[b]pyridin-1-ium-5-ol
CID 164013065
1-Cyclopenta-1,3-dien-1-yl-2-(dipropylamino)ethanol
CID 88196842

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane?
The IUPAC name of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane (CID 144527631) is 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane is C=CC1=C(C=C)N(C)C(CC)C1O.CC.
What is the InChIKey of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane?
The InChIKey is ZZSRLZCZENXRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-5-8-9(6-2)12(4)10(7-3)11(8)13;1-2/h5-6,10-11,13H,1-2,7H2,3-4H3;1-2H3.
What are the key properties of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane?
4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane has a molecular weight of 209.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane is sourced from PubChem (CID 144527631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).