ethane;2-ethyl-2H-pyrrole

C8H15N — CID 170980805

IUPACethane;2-ethyl-2H-pyrrole
SMILESCC.CCC1C=CC=N1
InChIInChI=1S/C6H9N.C2H6/c1-2-6-4-3-5-7-6;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyWUFUBOHRLQVSAY-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds1

About ethane;2-ethyl-2H-pyrrole

ethane;2-ethyl-2H-pyrrole (PubChem CID 170980805) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is ethane;2-ethyl-2H-pyrrole.

Molecular Properties

Compound Nameethane;2-ethyl-2H-pyrrole
PubChem CID170980805
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameethane;2-ethyl-2H-pyrrole
SMILESCC.CCC1C=CC=N1
InChIInChI=1S/C6H9N.C2H6/c1-2-6-4-3-5-7-6;1-2/h3-6H,2H2,1H3;1-2H3
InChIKeyWUFUBOHRLQVSAY-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2H-pyrrole
CID 18970006
2-Methyl-2,3-dihydropyridine
CID 21652564
2,5-Dimethyl-2H-pyrrole
CID 21811124
2-Propyl-2,3-dihydropyridine
CID 68521817
(2S)-3-fluoro-2-methyl-2,3-dihydropyridine
CID 67991667
N-[(Z)-2,2-difluorohex-4-en-3-yl]ethanimine
CID 173908945
(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
1-(2-fluoropyrrol-2-yl)-N-propan-2-ylmethanimine
CID 89251919
2,3-dimethyl-2H-pyrrole
CID 14938985
5-ethyl-2H-pyrrole
CID 20725724
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
2-But-2-enyl-2-ethylpyrrole
CID 57004955

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-2H-pyrrole?
The IUPAC name of ethane;2-ethyl-2H-pyrrole (CID 170980805) is ethane;2-ethyl-2H-pyrrole.
What is the SMILES notation for ethane;2-ethyl-2H-pyrrole?
The canonical SMILES for ethane;2-ethyl-2H-pyrrole is CC.CCC1C=CC=N1.
What is the InChIKey of ethane;2-ethyl-2H-pyrrole?
The InChIKey is WUFUBOHRLQVSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C2H6/c1-2-6-4-3-5-7-6;1-2/h3-6H,2H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-2H-pyrrole?
ethane;2-ethyl-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-2H-pyrrole is sourced from PubChem (CID 170980805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).