ethane;2-ethenyl-3,4-diethyl-1H-pyrrole

C16H33N — CID 177324812

IUPACethane;2-ethenyl-3,4-diethyl-1H-pyrrole
SMILESC=Cc1[nH]cc(CC)c1CC.CC.CC.CC
InChIInChI=1S/C10H15N.3C2H6/c1-4-8-7-11-10(6-3)9(8)5-2;3*1-2/h6-7,11H,3-5H2,1-2H3;3*1-2H3
InChIKeyBPIAHTYWSRHDIU-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.86
Rot. Bonds3

About ethane;2-ethenyl-3,4-diethyl-1H-pyrrole

ethane;2-ethenyl-3,4-diethyl-1H-pyrrole (PubChem CID 177324812) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is ethane;2-ethenyl-3,4-diethyl-1H-pyrrole.

Molecular Properties

Compound Nameethane;2-ethenyl-3,4-diethyl-1H-pyrrole
PubChem CID177324812
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Nameethane;2-ethenyl-3,4-diethyl-1H-pyrrole
SMILESC=Cc1[nH]cc(CC)c1CC.CC.CC.CC
InChIInChI=1S/C10H15N.3C2H6/c1-4-8-7-11-10(6-3)9(8)5-2;3*1-2/h6-7,11H,3-5H2,1-2H3;3*1-2H3
InChIKeyBPIAHTYWSRHDIU-UHFFFAOYSA-N
XLogP5.86
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
(Z)-3-(3,4-diethyl-1H-pyrrol-2-yl)-2-methylprop-2-enenitrile
CID 58700900
2-ethenyl-3-ethyl-1H-pyrrole
CID 144842515
ruthenium;2,3,4-triethyl-1H-pyrrole
CID 174581947
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
(5E)-5-[(3,4-diethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrol-2-one
CID 10538284
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
CID 145088276
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193
2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
1-ethenyl-3,4-diethyl-2-methylbenzene
CID 54110697

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3,4-diethyl-1H-pyrrole?
The IUPAC name of ethane;2-ethenyl-3,4-diethyl-1H-pyrrole (CID 177324812) is ethane;2-ethenyl-3,4-diethyl-1H-pyrrole.
What is the SMILES notation for ethane;2-ethenyl-3,4-diethyl-1H-pyrrole?
The canonical SMILES for ethane;2-ethenyl-3,4-diethyl-1H-pyrrole is C=Cc1[nH]cc(CC)c1CC.CC.CC.CC.
What is the InChIKey of ethane;2-ethenyl-3,4-diethyl-1H-pyrrole?
The InChIKey is BPIAHTYWSRHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.3C2H6/c1-4-8-7-11-10(6-3)9(8)5-2;3*1-2/h6-7,11H,3-5H2,1-2H3;3*1-2H3.
What are the key properties of ethane;2-ethenyl-3,4-diethyl-1H-pyrrole?
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole has a molecular weight of 239.45 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3,4-diethyl-1H-pyrrole is sourced from PubChem (CID 177324812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).