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

C11H17NO — CID 144527632

IUPAC4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol
SMILESC=CC1=C(C=C)N(C)C(CC)C1O
InChIInChI=1S/C11H17NO/c1-5-8-9(6-2)12(4)10(7-3)11(8)13/h5-6,10-11,13H,1-2,7H2,3-4H3
InChIKeyOMDAOXYFDLRRDL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.70
Rot. Bonds3

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

4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol (PubChem CID 144527632) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol
PubChem CID144527632
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol
SMILESC=CC1=C(C=C)N(C)C(CC)C1O
InChIInChI=1S/C11H17NO/c1-5-8-9(6-2)12(4)10(7-3)11(8)13/h5-6,10-11,13H,1-2,7H2,3-4H3
InChIKeyOMDAOXYFDLRRDL-UHFFFAOYSA-N
XLogP1.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.70
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
4,5-Bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol;ethane
CID 144527631
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

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol?
The IUPAC name of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol (CID 144527632) is 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol.
What is the SMILES notation for 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol?
The canonical SMILES for 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol is C=CC1=C(C=C)N(C)C(CC)C1O.
What is the InChIKey of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol?
The InChIKey is OMDAOXYFDLRRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-8-9(6-2)12(4)10(7-3)11(8)13/h5-6,10-11,13H,1-2,7H2,3-4H3.
What are the key properties of 4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol?
4,5-bis(ethenyl)-2-ethyl-1-methyl-2,3-dihydropyrrol-3-ol has a molecular weight of 179.26 g/mol, XLogP of 1.70, 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 is sourced from PubChem (CID 144527632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).